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Home Halogens 1-Propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-

1-Propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-

CAS No.:
164658-13-3
Catalog Number:
AG001V0A
Molecular Formula:
C18H18ClN5O
Molecular Weight:
355.8214
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$222
- +
10mg
99%
1 week
United States
$290
- +
50mg
99%
1 week
United States
$890
- +
100mg
99%
1 week
United States
$1473
- +
Product Description
Catalog Number:
AG001V0A
Chemical Name:
1-Propanol, 3-[[4-[2-[(3-chlorophenyl)amino]-4-pyrimidinyl]-2-pyridinyl]amino]-
CAS Number:
164658-13-3
Molecular Formula:
C18H18ClN5O
Molecular Weight:
355.8214
MDL Number:
MFCD00938945
IUPAC Name:
3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol
InChI:
InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
InChI Key:
IYNDTACKOAXKBJ-UHFFFAOYSA-N
SMILES:
OCCCNc1nccc(c1)c1ccnc(n1)Nc1cccc(c1)Cl
UNII:
16IP6G5MLC
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.12g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
355.826g/mol
Monoisotopic Mass:
355.12g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Identification of pyrimidine derivatives as hSMG-1 inhibitors. Bioorganic & medicinal chemistry letters 20121101
Expanding the diversity of allosteric bcr-abl inhibitors. Journal of medicinal chemistry 20101014
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Novel and efficient access to phenylamino-pyrimidine type protein kinase C inhibitors utilizing a Negishi cross-coupling strategy. The Journal of organic chemistry 20050624
Synthesis and discovery of pyrazine-pyridine biheteroaryl as a novel series of potent vascular endothelial growth factor receptor-2 inhibitors. Journal of medicinal chemistry 20050324
A genome-wide overexpression screen in yeast for small-molecule target identification. Chemistry & biology 20050101
Properties