Chemspace API

This is a quick guide on how to use Chemspace API to get pricing information. Link to Chem-space's API https://api.chem-space.com/docs/

Email info@chem-space.com to obtain API Key

Get Access Token

Now that you have obtained the access token. You will use the command below to get the API Key (please replace <API Key> with your own API Key)

curl -X GET \
 "https://api.chem-space.com/auth/token" \
 -H  "Accept: application/json" \
 -H  "Authorization: Bearer <API Key>"
* Output will look like this
{"access_token":"<access_token>",
 "expires_in":3600,
 "api_key":"<API Key>" }

Search

Here is a list of catalogs searchable on Chem-Space and their identifiers. You can look up more than one catalogs by specified them under categories argument separated by comma

CSSS (In-stock Screening Compounds)
CSMS (Make-On-Demand Screening Compounds)
CSSB (In-Stock Building Blocks)
CSMB (Make-On-Demand Building Blocks)

By Exact Smiles

Example:

curl -X POST \
 "https://api.chem-space.com/v3/search/exact?count=3&page=1&categories=CSCS,CSMB" \
 -H  "Accept: application/json; version=3.1" \
 -H  "Authorization: Bearer <access_token>" \
 -H  "Content-Type: multipart/form-data" \
 -F  "SMILES=CC(N)=O"

OUTPUT:
{
 "count": 3,
 "filtered": 1014,
 "all": 1014,
 "items": [
   {
     "csId": "CSCS00011325247",
     "link": "https://chem-space.com/CSCS00011325247",
     "smiles": "CNC(=O)C=C",
     "molFormula": "C4H7NO",
     "cas": "1187-59-3",
     "mfcd": "MFCD00053693",
     "properties": {
       "mw": 85.106,
       "hac": 6,
       "logp": -0.050319255333333,
       "rotb": 1,
       "hba": 1,
       "hbd": 1,
       "ringCount": 0,
       "fsp3": 0.25,
       "tpsa": 29.1
     },
     "offerCount": 4,
     "offers": [
       {
         "vendorName": "Alichem",
         "vendorCode": "A490019437",
         "shipsWithin": 42,
         "purity": 95,
         "prices": [
           {
             "pack": 1,
             "uom": "g",
             "priceUsd": 276,
             "priceEur": 232
           },
           {
             "pack": 5,
             "uom": "g",
             "priceUsd": 805,
             "priceEur": 676
           }
         ]
       },
       {
         "vendorName": "Angel Pharmatech Ltd.",
         "vendorCode": "AG112245",
         "shipsWithin": null,
         "purity": 95,
         "prices": [
           {
             "pack": 1,
             "uom": "g",
             "priceUsd": null,
             "priceEur": null
           }
         ]
       },
       {
         "vendorName": "Arctom Chemicals LLC",
         "vendorCode": "AC003290",
         "shipsWithin": null,
         "purity": 95,
         "prices": [
           {
             "pack": 1,
             "uom": "g",
             "priceUsd": null,
             "priceEur": null
           }
         ]
       },
       {
         "vendorName": "Advanced Organic Synthesis, LLC",
         "vendorCode": "AOS00HEPL",
         "shipsWithin": 20,
         "purity": 95,
         "prices": [
           {
             "pack": 1,
             "uom": "g",
             "priceUsd": null,
             "priceEur": null
           }
         ]
       }
     ]
   },
   {
     "csId": "CSSB00011997587",
     "link": "https://chem-space.com/CSSB00011997587",
     "smiles": "CC1CC(=O)N1",
     "molFormula": "C4H7NO",
     "cas": "5303-64-0",
     "mfcd": "MFCD06217521",
     "properties": {
       "mw": 85.106,
       "hac": 6,
       "logp": -0.45169547866667,
       "rotb": 0,
       "hba": 1,
       "hbd": 1,
       "ringCount": 1,
       "fsp3": 0.75,
       "tpsa": 29.1
     },
     "offerCount": 2,
     "offers": [
       {
         "vendorName": "UORSY",
         "vendorCode": "BBV-38288479",
         "shipsWithin": 2,
         "purity": 95,
         "prices": [
           {
             "pack": 1,
             "uom": "g",
             "priceUsd": 785,
             "priceEur": 748
           },
           {
             "pack": 2.5,
             "uom": "g",
             "priceUsd": 1539,
             "priceEur": 1465
           },
           {
             "pack": 5,
             "uom": "g",
             "priceUsd": 2277,
             "priceEur": 2168
           },
           {
             "pack": 10,
             "uom": "g",
             "priceUsd": 3376,
             "priceEur": 3215
           }
         ]
       },
       {
         "vendorName": "Enamine Ltd",
         "vendorCode": "EN300-1251051",
         "shipsWithin": 2,
         "purity": 95,
         "prices": [
           {
             "pack": 1,
             "uom": "g",
             "priceUsd": 785,
             "priceEur": 748
           },
           {
             "pack": 2.5,
             "uom": "g",
             "priceUsd": 1539,
             "priceEur": 1465
           },
           {
             "pack": 5,
             "uom": "g",
             "priceUsd": 2277,
             "priceEur": 2168
           },
           {
             "pack": 10,
             "uom": "g",
             "priceUsd": 3376,
             "priceEur": 3215
           }
         ]
       }
     ]
   },
   {
     "csId": "CSCS00020675986",
     "link": "https://chem-space.com/CSCS00020675986",
     "smiles": "CC(=O)N1CC1",
     "molFormula": "C4H7NO",
     "cas": "460-07-1",
     "mfcd": null,
     "properties": {
       "mw": 85.106,
       "hac": 6,
       "logp": -0.75446114,
       "rotb": 0,
       "hba": 1,
       "hbd": 0,
       "ringCount": 1,
       "fsp3": 0.75,
       "tpsa": 20.08
     },
     "offerCount": 1,
     "offers": [
       {
         "vendorName": "BOC Sciences",
         "vendorCode": "118576",
         "shipsWithin": null,
         "purity": 95,
         "prices": [
           {
             "pack": 1,
             "uom": "g",
             "priceUsd": null,
             "priceEur": null
           }
         ]
       }
     ]
   }
 ]

}

By Substructure