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Mk-3697

CAS No.:
1224846-01-8
Catalog Number:
AG0017AJ
Molecular Formula:
C23H21N5O3S
Molecular Weight:
447.5095
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$265
- +
50mg
99%
1 week
United States
$682
- +
100mg
99%
1 week
United States
$960
- +
Product Description
Catalog Number:
AG0017AJ
Chemical Name:
Mk-3697
CAS Number:
1224846-01-8
Molecular Formula:
C23H21N5O3S
Molecular Weight:
447.5095
MDL Number:
MFCD22572350
IUPAC Name:
N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide
InChI:
InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)
InChI Key:
VSOUDUXMPUHJEU-UHFFFAOYSA-N
SMILES:
COc1nc(CNC(=O)c2cc(ncc2c2nccs2)c2cncc(c2)C)ccc1OC
UNII:
M8238285OA
Properties
Complexity:
614  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.137g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
447.513g/mol
Monoisotopic Mass:
447.137g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Discovery of MK-3697: a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia. Bioorganic & medicinal chemistry letters 20141015
Properties