Home Boronic acids Benzo(b)thiophene-2-boronic acid

Benzo(b)thiophene-2-boronic acid

CAS No.:
98437-23-1
Catalog Number:
AG003GKS
Molecular Formula:
C8H7BO2S
Molecular Weight:
178.0160
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$100
- +
100g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003GKS
Chemical Name:
Benzo(b)thiophene-2-boronic acid
CAS Number:
98437-23-1
Molecular Formula:
C8H7BO2S
Molecular Weight:
178.0160
MDL Number:
MFCD01075674
IUPAC Name:
1-benzothiophen-2-ylboronic acid
InChI:
InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
InChI Key:
YNCYPMUJDDXIRH-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(s1)cccc2)O
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.026g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.012g/mol
Monoisotopic Mass:
178.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Permeation through the cell membrane of a boron-based β-lactamase inhibitor. PloS one 20110101
Structural bases for stability-function tradeoffs in antibiotic resistance. Journal of molecular biology 20100212
Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. Journal of medicinal chemistry 20091008
Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. Journal of medicinal chemistry 20081127
Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacy. Journal of medicinal chemistry 20071115
A versatile synthesis of 17-heteroaryl androstenes via palladium-mediated Suzuki cross-coupling with heteroaryl boronic acids. Steroids 20060701
Activity of mecillinam against AmpC beta-lactamase-producing Escherichia coli. The Journal of antimicrobial chemotherapy 20060701
Disc methods for detecting AmpC {beta}-lactamase-producing clinical isolates of Escherichia coli and Klebsiella pneumoniae. The Journal of antimicrobial chemotherapy 20050901
Characterization of beta-lactamases responsible for resistance to extended-spectrum cephalosporins in Escherichia coli and Salmonella enterica strains from food-producing animals in the United Kingdom. Microbial drug resistance (Larchmont, N.Y.) 20040101
Effect of detergent on 'promiscuous' inhibitors. Journal of medicinal chemistry 20030731
Kinase inhibitors: not just for kinases anymore. Journal of medicinal chemistry 20030410
Structure-based approach for binding site identification on AmpC beta-lactamase. Journal of medicinal chemistry 20020718
A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. Journal of medicinal chemistry 20020411
Properties