Home Carbonyls Sulfamide, N'-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-N-ethyl-N-methyl-

Sulfamide, N'-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-N-ethyl-N-methyl-

CAS No.:
1393465-84-3
Catalog Number:
AG001ASS
Molecular Formula:
C24H22F2N6O3S
Molecular Weight:
512.5317
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$98
- +
5mg
98%
1 week
United States
$140
- +
10mg
98%
1 week
United States
$196
- +
50mg
98%
1 week
United States
$404
- +
100mg
98%
1 week
United States
$682
- +
Product Description
Catalog Number:
AG001ASS
Chemical Name:
Sulfamide, N'-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-N-ethyl-N-methyl-
CAS Number:
1393465-84-3
Molecular Formula:
C24H22F2N6O3S
Molecular Weight:
512.5317
MDL Number:
MFCD29472265
IUPAC Name:
5-(2-cyclopropylpyrimidin-5-yl)-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C24H22F2N6O3S/c1-3-32(2)36(34,35)31-19-7-6-18(25)20(21(19)26)22(33)17-12-30-24-16(17)8-14(9-29-24)15-10-27-23(28-11-15)13-4-5-13/h6-13,31H,3-5H2,1-2H3,(H,29,30)
InChI Key:
DKNZQPXIIHLUHU-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F)C
Properties
Complexity:
895  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.144g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
512.536g/mol
Monoisotopic Mass:
512.144g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
RAF inhibitors that evade paradoxical MAPK pathway activation. Nature 20151022
Boar seminal zinc-precipitable protein and the haemagglutinin. Journal of reproduction and fertility 19751201
Properties