Name: Name:3-[1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]propanoic acid
Brand: Angene
SKU: AG019K1Y
Rating: 90 (10 reviews)

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

CAS No.:

790681-55-9

Catalog Number:

AG019K1Y

Molecular Formula:

C18H25N3O4S

Molecular Weight:

379.4738

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG019K1Y

Chemical Name:

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

CAS Number:

790681-55-9

Molecular Formula:

C18H25N3O4S

Molecular Weight:

379.4738

MDL Number:

MFCD06358627

IUPAC Name:

3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoic acid

InChI:

InChI=1S/C18H25N3O4S/c1-2-3-12-21-16-7-6-14(26(24,25)20-10-4-5-11-20)13-15(16)19-17(21)8-9-18(22)23/h6-7,13H,2-5,8-12H2,1H3,(H,22,23)

InChI Key:

LYDUBWIJJGBWQR-UHFFFAOYSA-N

SMILES:

CCCCn1c(CCC(=O)O)nc2c1ccc(c2)S(=O)(=O)N1CCCC1

Properties

Complexity:

586

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

379.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

379.475g/mol

Monoisotopic Mass:

379.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
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