Home Halogens 4-Pyrimidinecarboxamide, 6-amino-5-chloro-n-[(1r)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-

4-Pyrimidinecarboxamide, 6-amino-5-chloro-n-[(1r)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-

CAS No.:
1096708-71-2
Catalog Number:
AG008TIA
Molecular Formula:
C17H12Cl2F3N7O2S
Molecular Weight:
506.2891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$166
- +
5mg
99%
1 week
United States
$307
- +
10mg
99%
1 week
United States
$490
- +
50mg
99%
1 week
United States
$1390
- +
100mg
99%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG008TIA
Chemical Name:
4-Pyrimidinecarboxamide, 6-amino-5-chloro-n-[(1r)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]-
CAS Number:
1096708-71-2
Molecular Formula:
C17H12Cl2F3N7O2S
Molecular Weight:
506.2891
MDL Number:
MFCD22571730
IUPAC Name:
2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1
InChI Key:
VWMJHAFYPMOMGF-ZCFIWIBFSA-N
SMILES:
CC(c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1ncnc(c1Cl)N
UNII:
ZN90E4027M
Properties
Complexity:
695  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
505.01g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
506.285g/mol
Monoisotopic Mass:
505.01g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
A brain-penetrant RAF dimer antagonist for the noncanonical BRAF oncoprotein of pediatric low-grade astrocytomas. Neuro-oncology 20170601
Properties