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BMS 626529

CAS No.:
701213-36-7
Catalog Number:
AG00FBZK
Molecular Formula:
C24H23N7O4
Molecular Weight:
473.4839
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
≥98%
1 week
United States
$251
- +
10mg
≥98%
1 week
United States
$397
- +
50mg
≥98%
1 week
United States
$1029
- +
100mg
99%
1 week
United States
$1640
- +
Product Description
Catalog Number:
AG00FBZK
Chemical Name:
BMS 626529
CAS Number:
701213-36-7
Molecular Formula:
C24H23N7O4
Molecular Weight:
473.4839
MDL Number:
MFCD22665723
IUPAC Name:
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
InChI:
InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3
InChI Key:
QRPZBKAMSFHVRW-UHFFFAOYSA-N
SMILES:
COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1)n1cnc(n1)C
UNII:
4B6J53W8N3
Properties
Complexity:
799  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.181g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
473.493g/mol
Monoisotopic Mass:
473.181g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
In vitro antiviral characteristics of HIV-1 attachment inhibitor BMS-626529, the active component of the prodrug BMS-663068. Antimicrobial agents and chemotherapy 20120701
Properties