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Ldn-27219

CAS No.:
312946-37-5
Catalog Number:
AG00C6G4
Molecular Formula:
C20H16N4O2S2
Molecular Weight:
408.4966
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$268
- +
50mg
98%
1 week
United States
$948
- +
Product Description
Catalog Number:
AG00C6G4
Chemical Name:
Ldn-27219
CAS Number:
312946-37-5
Molecular Formula:
C20H16N4O2S2
Molecular Weight:
408.4966
MDL Number:
MFCD01943209
IUPAC Name:
2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide
InChI:
InChI=1S/C20H16N4O2S2/c21-23-16(25)12-28-20-22-18-17(15(11-27-18)13-7-3-1-4-8-13)19(26)24(20)14-9-5-2-6-10-14/h1-11H,12,21H2,(H,23,25)
InChI Key:
WLBUICQBNZXIDJ-UHFFFAOYSA-N
SMILES:
NNC(=O)CSc1nc2scc(c2c(=O)n1c1ccccc1)c1ccccc1
NSC Number:
745843
Properties
Complexity:
617  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.071g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
408.494g/mol
Monoisotopic Mass:
408.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Structure-activity relationship study of novel tissue transglutaminase inhibitors. Bioorganic & medicinal chemistry letters 20050401
Properties