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SC-236

CAT: 0931-T8505-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T8505-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
170569-86-5
Target
Apoptosis, COX, PPAR
Related Pathways
Neuroscience, DNA Damage/DNA Repair, Apoptosis, Immunology/Inflammation, Metabolism
Purity
0.9974
Bioactivity
SC-236 (Sc 236) is an orally active and selective inhibitor of COX-2 (IC50 of 0.005 μM and 17.8 μM for COX-2 and COX-1, respectively) .
Smiles
NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Molecular Formula
C16H11ClF3N3O2S
Molecular Weight
401.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(5-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide

SC-236 is a potent, selective, orally active inhibitor of cyclooxygenase-2 (COX-2) that has been studied in cancer therapy, lower back pain, and inflammation,,,.

CAS Number170569-86-5
PubChem CID9865808
IUPAC Name4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Molecular FormulaC16H11ClF3N3O2S
Molecular Weight401.8
XLogP3.7
Topological Polar Surface Area86.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity583
SMILES
C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)Cl
InChI
InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKey
NSQNZEUFHPTJME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(5-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CAS: 170569-86-5
CID: 9865808
Formula: C16H11ClF3N3O2S
MW: 401.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.8
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass401.0212600
Monoisotopic Mass401.0212600
Topological Polar Surface Area86.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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