327092-81-9 | 3-((3,4-Dihydroisoquinolin-2(1h)-yl)sulfonyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
50mg	98%	in stock	$38.00	$27.00
100mg	98%	in stock	$55.00	$38.00
250mg	98%	in stock	$82.00	$57.00
1g	98%	in stock	$131.00	$92.00
5g	98%	in stock	$372.00	$260.00
10g	98%	in stock	$667.00	$467.00
25g	98%	in stock	$1,319.00	$923.00

Description

• Catalog Number: AF87411
• Chemical Name: 3-((3,4-Dihydroisoquinolin-2(1h)-yl)sulfonyl)benzoic acid
• CAS Number: 327092-81-9
• Molecular Formula: C16H15NO4S
• Molecular Weight: 317.3596
• MDL Number: MFCD01197550
• SMILES: OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2

Computed Properties

• Complexity: 513
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 2.1

Literature

• 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-β-hydroxysteroid dehydrogenase AKR1C3.

  Journal of medicinal chemistry 20120913

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

  Bioorganic & medicinal chemistry letters 20101101

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501