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ML277

CAS No.:
1401242-74-7
Catalog Number:
AG001C1V
Molecular Formula:
C23H25N3O4S2
Molecular Weight:
471.5923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$105
- +
5mg
99%
1 week
United States
$187
- +
10mg
≥95%
1 week
United States
$276
- +
25mg
≥95%
1 week
United States
$482
- +
Product Description
Catalog Number:
AG001C1V
Chemical Name:
ML277
CAS Number:
1401242-74-7
Molecular Formula:
C23H25N3O4S2
Molecular Weight:
471.5923
MDL Number:
MFCD01757771
IUPAC Name:
(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
InChI:
InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)/t21-/m1/s1
InChI Key:
OXQNLLVUVDAEHC-OAQYLSRUSA-N
SMILES:
COc1ccc(cc1)c1csc(n1)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
728  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
471.129g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
471.59g/mol
Monoisotopic Mass:
471.129g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Identification of (R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide, ML277, as a novel, potent and selective K(v)7.1 (KCNQ1) potassium channel activator. Bioorganic & medicinal chemistry letters 20120915
Properties