Home Other Building Blocks N-[(1S,2S)-3-(4-Chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[(5-(trifluoromethyl)pyridin-2-yl)oxy]propanamide( MK 0364)

N-[(1S,2S)-3-(4-Chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[(5-(trifluoromethyl)pyridin-2-yl)oxy]propanamide( MK 0364)

CAS No.:
701977-09-5
Catalog Number:
AG00FC13
Molecular Formula:
C27H25ClF3N3O2
Molecular Weight:
515.9545
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$207
- +
5mg
99%
1 week
United States
$357
- +
10mg
99%
1 week
United States
$523
- +
25mg
99%
1 week
United States
$1023
- +
Product Description
Catalog Number:
AG00FC13
Chemical Name:
N-[(1S,2S)-3-(4-Chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-[(5-(trifluoromethyl)pyridin-2-yl)oxy]propanamide( MK 0364)
CAS Number:
701977-09-5
Molecular Formula:
C27H25ClF3N3O2
Molecular Weight:
515.9545
MDL Number:
MFCD09970765
IUPAC Name:
N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide
InChI:
InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
InChI Key:
QLYKJCMUNUWAGO-GAJHUEQPSA-N
SMILES:
N#Cc1cccc(c1)[C@@H]([C@@H](NC(=O)C(Oc1ccc(cn1)C(F)(F)F)(C)C)C)Cc1ccc(cc1)Cl
UNII:
X9U622S114
Properties
Complexity:
776  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
515.159g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
515.961g/mol
Monoisotopic Mass:
515.159g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5  
Literature
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Conformational analysis and receptor docking of N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide (taranabant, MK-0364), a novel, acyclic cannabinoid-1 receptor inverse agonist. Journal of medicinal chemistry 20080410
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Properties