61471-45-2 | 3-(1H-Pyrrol-1-yl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$18.00	$13.00
1g	97%	in stock	$65.00	$45.00
5g	97%	in stock	$114.00	$80.00
10g	97%	in stock	$228.00	$160.00
25g	97%	in stock	$518.00	$363.00

Description

• Catalog Number: AG67032
• Chemical Name: 3-(1H-Pyrrol-1-yl)benzoic acid
• CAS Number: 61471-45-2
• Molecular Formula: C11H9NO2
• Molecular Weight: 187.1947
• MDL Number: MFCD02656610
• SMILES: OC(=O)c1cccc(c1)n1cccc1

Computed Properties

• Complexity: 211
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.6

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41.

  Journal of medicinal chemistry 20081225

• Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors.

  Bioorganic & medicinal chemistry 20080315