1663-0031 Screening compound: (Z)-4-oxo-4-[4-(vinyloxy)anilino]-2-butenoic acid

1663-0031 Screening compound: (Z)-4-oxo-4-[4-(vinyloxy)anilino]-2-butenoic acid
1663-0031 Screening compound: (Z)-4-oxo-4-[4-(vinyloxy)anilino]-2-butenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1663-0031
(Z)-4-oxo-4-[4-(vinyloxy)anilino]-2-butenoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1663-0031

Molecular Formula

C12H11NO4 (C12 H11 NO4)

Compound Name

(Z)-4-oxo-4-[4-(vinyloxy)anilino]-2-butenoic acid

IUPAC name

(2Z)-3-{[4-(ethenyloxy)phenyl]carbamoyl}prop-2-enoic acid

SMILES

C=COc(cc1)ccc1NC(/C=C\C(O)=O)=O

InChI

InChI=1S/C12H11NO4/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16/h2-8H,1H2,(H,13,14)(H,15,16)

InChI Key

AVWJDEMWEXAHQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.775

Distribution Coefficient, logD

-2.683

Water Solubility, LogSw

-2.12

Polar Surface Area

59.172

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1663-0031 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1663-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1663-0031?
Check Price and Availability of 1663-0031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1663-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1663-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1663-0031
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1663-0031 available by request