SC-236

Ligand id: 10242

Name: SC-236

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 85.84
Molecular weight 401.02
XLogP 4.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Synonyms
compound 1f [PMID: 9135032] | SC236
Comments
SC-236 is a selective COX-2 inhibitor [1]. It was an early structural lead that lead to the development of celecoxib.
Database Links
BindingDB Ligand 50057527
CAS Registry No. 170569-86-5 (source: PubChem)
ChEMBL Ligand CHEMBL282093
GtoPdb PubChem SID 381744924
PubChem CID 9865808
Search Google for chemical match using the InChIKey NSQNZEUFHPTJME-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NSQNZEUFHPTJME
Search UniChem for chemical match using the InChIKey NSQNZEUFHPTJME-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NSQNZEUFHPTJME

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Tocris
SC 236
Cat. No. 3919