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Gw1100

CAS No.:
306974-70-9
Catalog Number:
AG00BEB5
Molecular Formula:
C27H25FN4O4S
Molecular Weight:
520.5752
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
97%
1 week
United States
$155
- +
10mg
97%
1 week
United States
$243
- +
50mg
97%
1 week
United States
$837
- +
Product Description
Catalog Number:
AG00BEB5
Chemical Name:
Gw1100
CAS Number:
306974-70-9
Molecular Formula:
C27H25FN4O4S
Molecular Weight:
520.5752
MDL Number:
MFCD09953714
IUPAC Name:
ethyl 4-[5-[(2-ethoxypyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]benzoate
InChI:
InChI=1S/C27H25FN4O4S/c1-3-35-25(34)20-7-11-23(12-8-20)32-16-21(13-19-14-29-26(30-15-19)36-4-2)24(33)31-27(32)37-17-18-5-9-22(28)10-6-18/h5-12,14-16H,3-4,13,17H2,1-2H3
InChI Key:
PTPNCCWOTBBVJR-UHFFFAOYSA-N
SMILES:
CCOc1ncc(cn1)Cc1cn(c2ccc(cc2)C(=O)OCC)c(nc1=O)SCc1ccc(cc1)F
Properties
Complexity:
832  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.158g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.579g/mol
Monoisotopic Mass:
520.158g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Uncovering the pharmacology of the G protein-coupled receptor GPR40: high apparent constitutive activity in guanosine 5'-O-(3-[35S]thio)triphosphate binding studies reflects binding of an endogenous agonist. Molecular pharmacology 20070401
Pharmacological regulation of insulin secretion in MIN6 cells through the fatty acid receptor GPR40: identification of agonist and antagonist small molecules. British journal of pharmacology 20060701
Properties