685543-77-5 | (E)-4-(Benzylamino)-4-oxobut-2-enoic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$44.00	$31.00
250mg	95%	in stock	$79.00	$55.00
500mg	95%	in stock	$112.00	$79.00
1g	95%	in stock	$157.00	$110.00

Description

• Catalog Number: AJ07915
• Chemical Name: (E)-4-(Benzylamino)-4-oxobut-2-enoic acid
• CAS Number: 685543-77-5
• Molecular Formula: C11H11NO3
• Molecular Weight: 205.2099
• MDL Number: MFCD00185898
• SMILES: O=C(/C=C/C(=O)O)NCc1ccccc1
• NSC Number: 166479

Computed Properties

• Complexity: 255
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 4
• XLogP3: 0.7

Literature

• 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

• Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives.

  Journal of medicinal chemistry 20031218