Home Other Building Blocks Mutant IDH1-IN-2

Mutant IDH1-IN-2

CAS No.:
1429176-69-1
Catalog Number:
AG009CJA
Molecular Formula:
C24H31F2N5O2
Molecular Weight:
459.5320
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
- +
Product Description
Catalog Number:
AG009CJA
Chemical Name:
Mutant IDH1-IN-2
CAS Number:
1429176-69-1
Molecular Formula:
C24H31F2N5O2
Molecular Weight:
459.5320
MDL Number:
MFCD29472262
IUPAC Name:
(4S)-3-[2-[[(1S)-1-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C24H31F2N5O2/c1-16(2)20-15-33-23(32)31(20)21-8-11-27-22(29-21)28-17(3)19-6-4-18(5-7-19)14-30-12-9-24(25,26)10-13-30/h4-8,11,16-17,20H,9-10,12-15H2,1-3H3,(H,27,28,29)/t17-,20+/m0/s1
InChI Key:
OCZCXJFDMAWAIM-FXAWDEMLSA-N
SMILES:
CC([C@H]1COC(=O)N1c1ccnc(n1)N[C@H](c1ccc(cc1)CN1CCC(CC1)(F)F)C)C
Properties
Complexity:
649  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
459.245g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
459.542g/mol
Monoisotopic Mass:
459.245g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties