54624-57-6 | 2-Bromo-1H-benzimidazole

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$7.00	$5.00
1g	95%	in stock	$11.00	$8.00
5g	98%	in stock	$46.00	$33.00
10g	98%	in stock	$78.00	$55.00
25g	98%	in stock	$182.00	$128.00

Description

• Catalog Number: AB61496
• Chemical Name: 2-Bromo-1H-benzimidazole
• CAS Number: 54624-57-6
• Molecular Formula: C7H5BrN2
• Molecular Weight: 197.0320
• MDL Number: MFCD00160009
• SMILES: Brc1nc2c([nH]1)cccc2

Computed Properties

• Complexity: 129
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• XLogP3: 2.3

Literature

• Application of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1).

  PloS one 20120101

• Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules.

  Journal of medicinal chemistry 20100624

• In silico binding free energy predictability by using the linear interaction energy (LIE) method: bromobenzimidazole CK2 inhibitors as a case study.

  Journal of chemical information and modeling 20070101