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Home Halogens Pyrido[2,3-d]pyriMidin-7(8H)-one, 6-(2,4-dichlorophenyl)-8-ethyl-2-[[3-fluoro-4-(1-piperazinyl)phenyl]aMino]-

Pyrido[2,3-d]pyriMidin-7(8H)-one, 6-(2,4-dichlorophenyl)-8-ethyl-2-[[3-fluoro-4-(1-piperazinyl)phenyl]aMino]-

CAS No.:
1232030-35-1
Catalog Number:
AG000K5V
Molecular Formula:
C25H23Cl2FN6O
Molecular Weight:
513.3941
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$147
- +
10mg
98%
1 week
United States
$210
- +
50mg
98%
1 week
United States
$612
- +
100mg
98%
1 week
United States
$807
- +
Product Description
Catalog Number:
AG000K5V
Chemical Name:
Pyrido[2,3-d]pyriMidin-7(8H)-one, 6-(2,4-dichlorophenyl)-8-ethyl-2-[[3-fluoro-4-(1-piperazinyl)phenyl]aMino]-
CAS Number:
1232030-35-1
Molecular Formula:
C25H23Cl2FN6O
Molecular Weight:
513.3941
MDL Number:
MFCD26793866
IUPAC Name:
6-(2,4-dichlorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
InChI:
InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)
InChI Key:
DHKFOIHIUYFSOF-UHFFFAOYSA-N
SMILES:
CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)F)N1CCNCC1
Properties
Complexity:
783  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.129g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
513.398g/mol
Monoisotopic Mass:
512.129g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. ACS medicinal chemistry letters 20150709
PAKs inhibitors ameliorate schizophrenia-associated dendritic spine deterioration in vitro and in vivo during late adolescence. Proceedings of the National Academy of Sciences of the United States of America 20140429
Rescue of fragile X syndrome phenotypes in Fmr1 KO mice by the small-molecule PAK inhibitor FRAX486. Proceedings of the National Academy of Sciences of the United States of America 20130402
Properties