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/

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"

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"