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VU0152100

CAS No.:
409351-28-6
Catalog Number:
AG003VBV
Molecular Formula:
C18H19N3O2S
Molecular Weight:
341.4274
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$257
- +
50mg
99%
1 week
United States
$940
- +
Product Description
Catalog Number:
AG003VBV
Chemical Name:
VU0152100
CAS Number:
409351-28-6
Molecular Formula:
C18H19N3O2S
Molecular Weight:
341.4274
MDL Number:
MFCD02742972
IUPAC Name:
3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
InChI:
InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
InChI Key:
MDNWGCQSCGNTKH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.12g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
341.429g/mol
Monoisotopic Mass:
341.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
An allosteric enhancer of M₄ muscarinic acetylcholine receptor function inhibits behavioral and neurochemical effects of cocaine. Psychopharmacology 20121101
Centrally active allosteric potentiators of the M4 muscarinic acetylcholine receptor reverse amphetamine-induced hyperlocomotor activity in rats. The Journal of pharmacology and experimental therapeutics 20081201
Properties