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Mk-6096

CAS No.:
1088991-73-4
Catalog Number:
AG008TI7
Molecular Formula:
C24H25FN4O2
Molecular Weight:
420.4793
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$307
- +
10mg
98%
1 week
United States
$473
- +
50mg
98%
1 week
United States
$1140
- +
100mg
98%
1 week
United States
$1690
- +
Product Description
Catalog Number:
AG008TI7
Chemical Name:
Mk-6096
CAS Number:
1088991-73-4
Molecular Formula:
C24H25FN4O2
Molecular Weight:
420.4793
MDL Number:
MFCD28100674
IUPAC Name:
[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
InChI:
InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
InChI Key:
NPFDWHQSDBWQLH-QZTJIDSGSA-N
SMILES:
Cc1ccc(c(c1)C(=O)N1C[C@@H](CC[C@H]1C)COc1ccc(cn1)F)c1ncccn1
UNII:
E6BTT8VA5Z
Properties
Complexity:
588  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
420.196g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.488g/mol
Monoisotopic Mass:
420.196g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Dual orexin receptor antagonists - promising agents in the treatment of sleep disorders. The international journal of neuropsychopharmacology 20140101
Selective orexin receptor antagonists. Bioorganic & medicinal chemistry letters 20130901
Discovery of [(2R,5R)-5-{[(5-fluoropyridin-2-yl)oxy]methyl}-2-methylpiperidin-1-yl][5-methyl-2-(pyrimidin-2-yl)phenyl]methanone (MK-6096): a dual orexin receptor antagonist with potent sleep-promoting properties. ChemMedChem 20120305
Pharmacological characterization of MK-6096 - a dual orexin receptor antagonist for insomnia. Neuropharmacology 20120201
Properties