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GW0742

CAT: 0572-TRC-G930000-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G930000-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
317318-84-6
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Cc1cc(SCc2sc(nc2C)c3ccc(c(F)c3)C(F)(F)F)ccc1OCC(=O)O
Molecular Formula
C21 H17 F4 N O3 S2
Molecular Weight
471.49
InChI
InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
Additionnal Information
IUPAC name: 2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

GW-0742

GW 0742 is a monocarboxylic acid.

CAS Number317318-84-6
PubChem CID9934458
IUPAC Name2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]acetic acid
Molecular FormulaC21H17F4NO3S2
Molecular Weight471.5
XLogP6
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity612
SMILES
CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC(=C(C=C3)C(F)(F)F)F)C)OCC(=O)O
InChI
InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
InChIKey
HWVNEWGKWRGSRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GW-0742
CAS: 317318-84-6
CID: 9934458
Formula: C21H17F4NO3S2
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass471.05859840
Monoisotopic Mass471.05859840
Topological Polar Surface Area113 Ų
Heavy Atom Count31
Formal Charge0
Complexity612
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
A4307-10GW0742
A14958-100GW0742 100mg
451557-01GW0742 Sulfoxide
A14958-25GW0742 25mg
A14958-50GW0742 50mg

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