Name: Name:3-[1-butyl-5-(dimethylsulfamoyl)-1H-1,3-benzodiazol-2-yl]propanoic acid
Brand: Angene
SKU: AG019JEZ
Rating: 90 (10 reviews)

3-[1-butyl-5-(dimethylsulfamoyl)-1H-1,3-benzodiazol-2-yl]propanoic acid

CAS No.:

744242-78-2

Catalog Number:

AG019JEZ

Molecular Formula:

C16H23N3O4S

Molecular Weight:

353.4365

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Product Description

Catalog Number:

AG019JEZ

Chemical Name:

3-[1-butyl-5-(dimethylsulfamoyl)-1H-1,3-benzodiazol-2-yl]propanoic acid

CAS Number:

744242-78-2

Molecular Formula:

C16H23N3O4S

Molecular Weight:

353.4365

MDL Number:

MFCD26386298

IUPAC Name:

3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]propanoic acid

InChI:

InChI=1S/C16H23N3O4S/c1-4-5-10-19-14-7-6-12(24(22,23)18(2)3)11-13(14)17-15(19)8-9-16(20)21/h6-7,11H,4-5,8-10H2,1-3H3,(H,20,21)

InChI Key:

DAPIFPUVXQTHQI-UHFFFAOYSA-N

SMILES:

CCCCn1c(CCC(=O)O)nc2c1ccc(c2)S(=O)(=O)N(C)C

Properties

Complexity:

532

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

353.141g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

353.437g/mol

Monoisotopic Mass:

353.141g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
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