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Mps1-IN-5

CAS No.:
1443763-60-7
Catalog Number:
AG00ABOG
Molecular Formula:
C29H26FN5O4S
Molecular Weight:
559.6112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00ABOG
Chemical Name:
Mps1-IN-5
CAS Number:
1443763-60-7
Molecular Formula:
C29H26FN5O4S
Molecular Weight:
559.6112
MDL Number:
MFCD28902188
IUPAC Name:
(2R)-2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
InChI:
InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1
InChI Key:
NRJKIOCCERLIDG-GOSISDBHSA-N
SMILES:
COc1cc(ccc1Nc1nc2n(n1)cc(cc2)c1ccc(cc1)NC(=O)[C@@H](c1ccc(cc1)F)C)S(=O)(=O)C
UNII:
02Y3Z2756M
Properties
Complexity:
951  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
559.169g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
559.616g/mol
Monoisotopic Mass:
559.169g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Novel Mps1 Kinase Inhibitors with Potent Antitumor Activity. Molecular cancer therapeutics 20160401
Properties