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

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$15.00	$10.00
5g	97%	in stock	$49.00	$35.00
10g	97%	in stock	$90.00	$63.00
25g	97%	in stock	$225.00	$157.00
100g	97%	in stock	$831.00	$582.00

Description

• Catalog Number: AB61496
• Chemical Name: 2-Bromo-1H-benzimidazole
• CAS Number: 54624-57-6
• Molecular Formula: C7H5BrN2
• Molecular Weight: 197.032
• 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