Home Other Building Blocks SodiuM Channel inhibitor 1

SodiuM Channel inhibitor 1

CAS No.:
1198117-23-5
Catalog Number:
AG008TJN
Molecular Formula:
C24H19F4N3O3
Molecular Weight:
473.4196
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$498
- +
10mg
98%
1 week
United States
$640
- +
Product Description
Catalog Number:
AG008TJN
Chemical Name:
SodiuM Channel inhibitor 1
CAS Number:
1198117-23-5
Molecular Formula:
C24H19F4N3O3
Molecular Weight:
473.4196
MDL Number:
MFCD24070823
IUPAC Name:
7-fluoro-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
InChI:
InChI=1S/C24H19F4N3O3/c25-19-6-3-5-18-20(19)21(31(23(18)33)13-11-16-4-1-2-12-29-16)22(32)30-14-15-7-9-17(10-8-15)34-24(26,27)28/h1-10,12,21H,11,13-14H2,(H,30,32)
InChI Key:
GRXUKFHZQDPFAI-UHFFFAOYSA-N
SMILES:
O=C(C1N(CCc2ccccn2)C(=O)c2c1c(F)ccc2)NCc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
714  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.136g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
473.428g/mol
Monoisotopic Mass:
473.136g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
3-Oxoisoindoline-1-carboxamides: potent, state-dependent blockers of voltage-gated sodium channel Na(V)1.7 with efficacy in rat pain models. Journal of medicinal chemistry 20120809
Properties