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GNE 617

CAS No.:
1362154-70-8
Catalog Number:
AG009CBT
Molecular Formula:
C21H15F2N3O3S
Molecular Weight:
427.4239
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$94
- +
2mg
99%
1 week
United States
$133
- +
5mg
99%
1 week
United States
$182
- +
10mg
99%
1 week
United States
$265
- +
50mg
99%
1 week
United States
$682
- +
100mg
99%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG009CBT
Chemical Name:
GNE 617
CAS Number:
1362154-70-8
Molecular Formula:
C21H15F2N3O3S
Molecular Weight:
427.4239
MDL Number:
MFCD26960964
IUPAC Name:
N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
InChI:
InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)
InChI Key:
XRDVXQQZLHVEQZ-UHFFFAOYSA-N
SMILES:
Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc2n(c1)ccn2
Properties
Complexity:
699  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.08g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
427.426g/mol
Monoisotopic Mass:
427.08g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Retinal toxicity, in vivo and in vitro, associated with inhibition of nicotinamide phosphoribosyltransferase. Toxicological sciences : an official journal of the Society of Toxicology 20150301
Properties