Home Halogens 8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethyl-4-piperidinyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile

8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethyl-4-piperidinyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile

CAS No.:
915363-56-3
Catalog Number:
AG00GU2M
Molecular Formula:
C26H25Cl2FN8
Molecular Weight:
539.4347
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$290
- +
5mg
99%
1 week
United States
$440
- +
10mg
99%
1 week
United States
$673
- +
25mg
99%
1 week
United States
$1323
- +
50mg
99%
1 week
United States
$2307
- +
100mg
99%
1 week
United States
$3723
- +
Product Description
Catalog Number:
AG00GU2M
Chemical Name:
8-Chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[[[1-(1-ethyl-4-piperidinyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-3-Quinolinecarbonitrile
CAS Number:
915363-56-3
Molecular Formula:
C26H25Cl2FN8
Molecular Weight:
539.4347
MDL Number:
MFCD13184702
IUPAC Name:
8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methylamino]quinoline-3-carbonitrile
InChI:
InChI=1S/C26H25Cl2FN8/c1-2-36-7-5-20(6-8-36)37-15-19(34-35-37)14-31-18-9-21-25(33-17-3-4-24(29)22(27)10-17)16(12-30)13-32-26(21)23(28)11-18/h3-4,9-11,13,15,20,31H,2,5-8,14H2,1H3,(H,32,33)
InChI Key:
PHNZIIMWDVXPGG-UHFFFAOYSA-N
SMILES:
CCN1CCC(CC1)n1nnc(c1)CNc1cc(Cl)c2c(c1)c(Nc1ccc(c(c1)Cl)F)c(cn2)C#N
Properties
Complexity:
792  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.156g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
539.44g/mol
Monoisotopic Mass:
538.156g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Literature
Title Journal
Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorganic & medicinal chemistry letters 20090701
Properties