Home Halogens N2-(2-((4-(2,4-Dichlorophenyl)-5-(1h-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)-5-nitropyridine-2,6-diamine

N2-(2-((4-(2,4-Dichlorophenyl)-5-(1h-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)-5-nitropyridine-2,6-diamine

CAS No.:
556813-39-9
Catalog Number:
AG00DAB8
Molecular Formula:
C20H17Cl2N9O2
Molecular Weight:
486.3141
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$147
- +
5mg
≥98%
1 week
United States
$260
- +
10mg
≥98%
1 week
United States
$418
- +
25mg
≥98%
1 week
United States
$825
- +
Product Description
Catalog Number:
AG00DAB8
Chemical Name:
N2-(2-((4-(2,4-Dichlorophenyl)-5-(1h-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)-5-nitropyridine-2,6-diamine
CAS Number:
556813-39-9
Molecular Formula:
C20H17Cl2N9O2
Molecular Weight:
486.3141
MDL Number:
MFCD24369684
IUPAC Name:
6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
InChI:
InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
InChI Key:
NDFXSHIIGXVOKT-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)c1nc(NCCNc2ccc(c(n2)N)[N+](=O)[O-])ncc1c1ncc[nH]1
Properties
Complexity:
645  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.088g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
486.317g/mol
Monoisotopic Mass:
485.088g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Synthesis and biological evaluation of glycogen synthase kinase 3 (GSK-3) inhibitors: an fast and atom efficient access to 1-aryl-3-benzylureas. Bioorganic & medicinal chemistry letters 20110915
Properties