Chemspace API
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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
Example:
curl -X POST \ "https://api.chem-space.com/v3/search/sub?count=3&page=18&categories=CSSB,CSCS" \ -H "Accept: application/json; version=3.1" \ -H "Authorization: Bearer <access_token>" \ -H "Content-Type: multipart/form-data" \ -F "SMILES=CC(N)=O"