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GSK1059865

CAS No.:
1191044-58-2
Catalog Number:
AG0097A5
Molecular Formula:
C20H23BrFN3O2
Molecular Weight:
436.3179
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$323
- +
10mg
99%
1 week
United States
$507
- +
25mg
99%
1 week
United States
$1007
- +
50mg
99%
1 week
United States
$1657
- +
100mg
99%
1 week
United States
$2890
- +
Product Description
Catalog Number:
AG0097A5
Chemical Name:
GSK1059865
CAS Number:
1191044-58-2
Molecular Formula:
C20H23BrFN3O2
Molecular Weight:
436.3179
MDL Number:
MFCD31618413
IUPAC Name:
[(2S,5S)-2-[[(5-bromopyridin-2-yl)amino]methyl]-5-methylpiperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
InChI:
InChI=1S/C20H23BrFN3O2/c1-13-6-8-15(11-24-18-9-7-14(21)10-23-18)25(12-13)20(26)16-4-3-5-17(22)19(16)27-2/h3-5,7,9-10,13,15H,6,8,11-12H2,1-2H3,(H,23,24)/t13-,15-/m0/s1
InChI Key:
TWCRHJLMMAYSTE-ZFWWWQNUSA-N
SMILES:
COc1c(F)cccc1C(=O)N1C[C@@H](C)CC[C@H]1CNc1ccc(cn1)Br
Properties
Complexity:
498  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
435.096g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
436.325g/mol
Monoisotopic Mass:
435.096g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Selective orexin receptor antagonists. Bioorganic & medicinal chemistry letters 20130901
Functional magnetic resonance imaging reveals different neural substrates for the effects of orexin-1 and orexin-2 receptor antagonists. PloS one 20110101
Properties