Name: Name:2-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]benzoic acid
Brand: Angene
SKU: AG019KEC
Rating: 90 (10 reviews)

2-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]benzoic acid

CAS No.:

380435-06-3

Catalog Number:

AG019KEC

Molecular Formula:

C15H12N2O2S

Molecular Weight:

284.3330

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Product Description

Catalog Number:

AG019KEC

Chemical Name:

2-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]benzoic acid

CAS Number:

380435-06-3

Molecular Formula:

C15H12N2O2S

Molecular Weight:

284.3330

MDL Number:

MFCD03150982

IUPAC Name:

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid

InChI:

InChI=1S/C15H12N2O2S/c18-15(19)12-5-1-2-6-13(12)20-10-11-9-17-8-4-3-7-14(17)16-11/h1-9H,10H2,(H,18,19)

InChI Key:

CBAVIAGQTYCOIL-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccccc1SCc1nc2n(c1)cccc2

Properties

Complexity:

353

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.333g/mol

Monoisotopic Mass:

284.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

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