Name: Name:4-[4-(methylsulfonyl)piperazin-1-yl]-4-oxobutanoic acid
Brand: Angene
SKU: AG00J8KB
Rating: 90 (10 reviews)

4-[4-(methylsulfonyl)piperazin-1-yl]-4-oxobutanoic acid

CAS No.:

899019-04-6

Catalog Number:

AG00J8KB

Molecular Formula:

C9H16N2O5S

Molecular Weight:

264.2987

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Product Description

Catalog Number:

AG00J8KB

Chemical Name:

4-[4-(methylsulfonyl)piperazin-1-yl]-4-oxobutanoic acid

CAS Number:

899019-04-6

Molecular Formula:

C9H16N2O5S

Molecular Weight:

264.2987

MDL Number:

MFCD06058796

IUPAC Name:

4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanoic acid

InChI:

InChI=1S/C9H16N2O5S/c1-17(15,16)11-6-4-10(5-7-11)8(12)2-3-9(13)14/h2-7H2,1H3,(H,13,14)

InChI Key:

LBAFRNDKPKEPRE-UHFFFAOYSA-N

SMILES:

OC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C

Properties

Complexity:

392

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.296g/mol

Monoisotopic Mass:

264.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101