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Home Other Building Blocks 2-[[(2,3-Difluorophenyl)methyl]thio]-N-[1-(2-methoxyethyl)-4-piperidinyl]-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-1(4H)-quinolineacetamide

2-[[(2,3-Difluorophenyl)methyl]thio]-N-[1-(2-methoxyethyl)-4-piperidinyl]-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-1(4H)-quinolineacetamide

CAS No.:
412950-08-4
Catalog Number:
AG00CLAJ
Molecular Formula:
C40H38F5N3O3S
Molecular Weight:
735.8050
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$682
- +
10mg
99%
1 week
United States
$1098
- +
25mg
99%
1 week
United States
$2140
- +
50mg
99%
1 week
United States
$2973
- +
100mg
99%
1 week
United States
$4640
- +
Product Description
Catalog Number:
AG00CLAJ
Chemical Name:
2-[[(2,3-Difluorophenyl)methyl]thio]-N-[1-(2-methoxyethyl)-4-piperidinyl]-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-1(4H)-quinolineacetamide
CAS Number:
412950-08-4
Molecular Formula:
C40H38F5N3O3S
Molecular Weight:
735.8050
MDL Number:
MFCD13195581
IUPAC Name:
2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
InChI:
InChI=1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3
InChI Key:
NNBGCSGCRSCFEA-UHFFFAOYSA-N
SMILES:
COCCN1CCC(CC1)N(C(=O)Cn1c(SCc2cccc(c2F)F)cc(=O)c2c1cccc2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F
UNII:
O14CWE893Z
Properties
Complexity:
1200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
735.255g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
735.814g/mol
Monoisotopic Mass:
735.255g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1  
Literature
Title Journal
Darapladib, a lipoprotein-associated phospholipase A2 inhibitor, in diabetic macular edema: a 3-month placebo-controlled study. Ophthalmology 20150501
Lipoprotein-associated phospholipase A2 and risk of dementia in the Cardiovascular Health Study. Atherosclerosis 20140801
Plasma lipoprotein-associated phospholipase A2 activity in Alzheimer's disease, amnestic mild cognitive impairment, and cognitively healthy elderly subjects: a cross-sectional study. Alzheimer's research & therapy 20120101
Lipoprotein-associated phospholipase A(2) and atherosclerosis. Current opinion in lipidology 20091001
Anti-inflammatory properties of a platelet-activating factor acetylhydrolase. Nature 19950406
Properties