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Dbpr108

CAS No.:
1186426-66-3
Catalog Number:
AG008TLP
Molecular Formula:
C16H25FN4O2
Molecular Weight:
324.3937
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$557
- +
10mg
99%
1 week
United States
$723
- +
50mg
99%
1 week
United States
$2057
- +
Product Description
Catalog Number:
AG008TLP
Chemical Name:
Dbpr108
CAS Number:
1186426-66-3
Molecular Formula:
C16H25FN4O2
Molecular Weight:
324.3937
MDL Number:
MFCD28385883
IUPAC Name:
(2S,4S)-4-fluoro-1-[2-[(2-methyl-4-oxo-4-pyrrolidin-1-ylbutan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
InChI:
InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
InChI Key:
VQKSCYBKUIDZEI-STQMWFEESA-N
SMILES:
N#C[C@@H]1C[C@@H](CN1C(=O)CNC(CC(=O)N1CCCC1)(C)C)F
UNII:
E329HG23ZT
Properties
Complexity:
508  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
324.196g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.4g/mol
Monoisotopic Mass:
324.196g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
(2S,4S)-1-[2-(1,1-dimethyl-3-oxo-3-pyrrolidin-1-yl-propylamino)acetyl]-4-fluoro-pyrrolidine-2-carbonitrile: a potent, selective, and orally bioavailable dipeptide-derived inhibitor of dipeptidyl peptidase IV. Bioorganic & medicinal chemistry letters 20100615
Properties