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Home Other Building Blocks Nav1.7 inhibitor

Nav1.7 inhibitor

CAS No.:
1355631-24-1
Catalog Number:
AG009CDR
Molecular Formula:
C15H11Cl3FNO4S
Molecular Weight:
426.6745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG009CDR
Chemical Name:
Nav1.7 inhibitor
CAS Number:
1355631-24-1
Molecular Formula:
C15H11Cl3FNO4S
Molecular Weight:
426.6745
MDL Number:
MFCD27992057
IUPAC Name:
5-chloro-4-[(3,4-dichlorophenoxy)methyl]-2-fluoro-N-methylsulfonylbenzamide
InChI:
InChI=1S/C15H11Cl3FNO4S/c1-25(22,23)20-15(21)10-6-12(17)8(4-14(10)19)7-24-9-2-3-11(16)13(18)5-9/h2-6H,7H2,1H3,(H,20,21)
InChI Key:
VHPXWPAGHGHDCK-UHFFFAOYSA-N
SMILES:
Clc1cc(c(cc1COc1ccc(c(c1)Cl)Cl)F)C(=O)NS(=O)(=O)C
Properties
Complexity:
574  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.946g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
426.664g/mol
Monoisotopic Mass:
424.946g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. European journal of medicinal chemistry 20120501
Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist. Bioorganic & medicinal chemistry letters 20120215
Properties