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GW501516

CAT: 0024-sc-202642Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202642Size:1 mg
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CAS Number
317318-70-0

Chemical Information

GW 501516

GW 501516 is an aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively. It has a role as a carcinogenic agent and a PPARbeta/delta agonist. It is a monocarboxylic acid, an aromatic ether, an aryl sulfide, an organofluorine compound and a member of 1,3-thiazoles.

CAS Number317318-70-0
PubChem CID9803963
IUPAC Name2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
Molecular FormulaC21H18F3NO3S2
Molecular Weight453.5
XLogP5.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity572
SMILES
CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O
InChI
InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
InChIKey
YDBLKRPLXZNVNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GW 501516
CAS: 317318-70-0
CID: 9803963
Formula: C21H18F3NO3S2
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass453.06802027
Monoisotopic Mass453.06802027
Topological Polar Surface Area113 Ų
Heavy Atom Count30
Formal Charge0
Complexity572
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
GW9340-5mgGW501516

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