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Ly2795050

CAS No.:
1346133-08-1
Catalog Number:
AG009CCV
Molecular Formula:
C23H22ClN3O2
Molecular Weight:
407.8927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$390
- +
10mg
98%
1 week
United States
$590
- +
50mg
98%
1 week
United States
$1307
- +
100mg
98%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG009CCV
Chemical Name:
Ly2795050
CAS Number:
1346133-08-1
Molecular Formula:
C23H22ClN3O2
Molecular Weight:
407.8927
MDL Number:
MFCD26142935
IUPAC Name:
3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]benzamide
InChI:
InChI=1S/C23H22ClN3O2/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28)/t21-/m0/s1
InChI Key:
LOOCZNLSXJHWTG-NRFANRHFSA-N
SMILES:
NC(=O)c1ccc(c(c1)Cl)Oc1ccc(cc1)CN1CCCC1c1cccnc1
Properties
Complexity:
540  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
407.14g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
407.898g/mol
Monoisotopic Mass:
407.14g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Discovery of aminobenzyloxyarylamides as κ opioid receptor selective antagonists: application to preclinical development of a κ opioid receptor antagonist receptor occupancy tracer. Journal of medicinal chemistry 20111208
Properties