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SC57666

CAT: 1410-M33121-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M33121-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SC57666 is a highly selective COX2 inhibitor (IC50 at 26 nM) that shows no activity against COX1.
CAS Number
158959-32-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
316.39
Molecular Formula
C18H17FO2S
Notes
Research use only, not for human use.
Receptor
COX

Chemical Information

SC-57666

SC-57666 is a stilbenoid.

CAS Number158959-32-1
PubChem CID443373
IUPAC Name1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
Molecular FormulaC18H17FO2S
Molecular Weight316.4
XLogP3.6
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity516
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=C(CCC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H17FO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3
InChIKey
GJGZQTGPOKPFES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SC-57666
CAS: 158959-32-1
CID: 443373
Formula: C18H17FO2S
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass316.09332912
Monoisotopic Mass316.09332912
Topological Polar Surface Area42.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity516
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

Alternative Products

CatalogName
IGA95932-01SC57666

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