Name: Name:3-((3,4-Dihydroisoquinolin-2(1h)-yl)sulfonyl)benzoic acid
Brand: Angene
SKU: AG00CLEJ
Rating: 90 (10 reviews)

3-((3,4-Dihydroisoquinolin-2(1h)-yl)sulfonyl)benzoic acid

CAS No.:

327092-81-9

Catalog Number:

AG00CLEJ

Molecular Formula:

C16H15NO4S

Molecular Weight:

317.3596

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

98%

In Stock USA

United States

$100

- +

98%

In Stock USA

United States

$300

- +

10g

98%

In Stock USA

United States

$525

- +

25g

98%

In Stock USA

United States

$1050

- +

Product Description

Catalog Number:

AG00CLEJ

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

IUPAC Name:

3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid

InChI:

InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19)

InChI Key:

ZGVIUMKHTXKKOX-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2

Properties

Complexity:

513

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.359g/mol

Monoisotopic Mass:

317.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
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

Properties