GW 501516 50mg

CAT: 0628-A11437-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A11437-50Size:50 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 Number	317318-70-0
PubChem CID	9803963
IUPAC Name	2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
Molecular Formula	C21H18F3NO3S2
Molecular Weight	453.5
XLogP	5.9
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	572

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

CAS: 317318-70-0

CID: 9803963

Formula: C21H18F3NO3S2

MW: 453.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	453.5
XLogP3	5.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	453.06802027
Monoisotopic Mass	453.06802027
Topological Polar Surface Area	113 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	572
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
5674/50	GW 501516
abx282407-01	GW-501516
HY-10838R-01	GW 501516 (Standard)
451548-01	GW 501516 Sulfoxide
451547-01	GW 501516 Sulfone
TBI1542-5MG	GW-501516, PPARd agonist
FG23722-01	GW 501516 methyl ester

GW 501516 50mg

Chemical Information

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