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Anguizole

CAS No.:
442666-98-0
Catalog Number:
AG00DB4S
Molecular Formula:
C17H11ClF2N4O2S
Molecular Weight:
408.8096
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$237
- +
10mg
99%
1 week
United States
$357
- +
50mg
99%
1 week
United States
$1032
- +
Product Description
Catalog Number:
AG00DB4S
Chemical Name:
Anguizole
CAS Number:
442666-98-0
Molecular Formula:
C17H11ClF2N4O2S
Molecular Weight:
408.8096
MDL Number:
MFCD03308216
IUPAC Name:
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
InChI:
InChI=1S/C17H11ClF2N4O2S/c18-17(19,20)14-7-11(13-4-1-5-26-13)22-15-8-12(23-24(14)15)16(25)21-9-10-3-2-6-27-10/h1-8H,9H2,(H,21,25)
InChI Key:
GBNREAYNZPJROB-UHFFFAOYSA-N
SMILES:
O=C(c1cc2n(n1)c(cc(n2)c1ccco1)C(Cl)(F)F)NCc1cccs1
Properties
Complexity:
561  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.026g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
408.808g/mol
Monoisotopic Mass:
408.026g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Discovery of a novel class of potent HCV NS4B inhibitors: SAR studies on piperazinone derivatives. Journal of medicinal chemistry 20140313
A hepatitis C virus NS4B inhibitor suppresses viral genome replication by disrupting NS4B's dimerization/multimerization as well as its interaction with NS5A. Virus genes 20131201
A small molecule inhibits HCV replication and alters NS4B's subcellular distribution. Antiviral research 20100701
Properties