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Home Other Building Blocks NMS-P715

NMS-P715

CAS No.:
1202055-32-0
Catalog Number:
AG008TMS
Molecular Formula:
C35H39F3N8O3
Molecular Weight:
676.7312
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$321
- +
10mg
99%
1 week
United States
$473
- +
50mg
99%
1 week
United States
$1457
- +
100mg
99%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG008TMS
Chemical Name:
NMS-P715
CAS Number:
1202055-32-0
Molecular Formula:
C35H39F3N8O3
Molecular Weight:
676.7312
MDL Number:
MFCD19443684
IUPAC Name:
N-(2,6-diethylphenyl)-1-methyl-8-[4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
InChI:
InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)
InChI Key:
JFOAJUGFHDCBJJ-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1NC(=O)c1nn(c2c1CCc1c2nc(nc1)Nc1ccc(cc1OC(F)(F)F)C(=O)NC1CCN(CC1)C)C)CC
Properties
Complexity:
1110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
676.31g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
676.745g/mol
Monoisotopic Mass:
676.31g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  
Literature
Title Journal
Synthesis and SAR of new pyrazolo[4,3-h]quinazoline-3-carboxamide derivatives as potent and selective MPS1 kinase inhibitors. Bioorganic & medicinal chemistry letters 20110801
Targeting the mitotic checkpoint for cancer therapy with NMS-P715, an inhibitor of MPS1 kinase. Cancer research 20101215
Properties