4234-0120 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-chlorobenzoate

4234-0120 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-chlorobenzoate
4234-0120 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4234-0120
(4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-chlorobenzoate

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

4234-0120

Molecular Formula

C13H8ClNO3 (C13 H8 ClNO3)

Compound Name

(4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-chlorobenzoate

IUPAC name

(4-oxocyclohexa-25-dien-1-ylidene)amino 4-chlorobenzoate

SMILES

O=C(c(cc1)ccc1Cl)ON=C(C=C1)C=CC1=O

InChI

InChI=1S/C13H8ClNO3/c14-10-3-1-9(2-4-10)13(17)18-15-11-5-7-12(16)8-6-11/h1-8H

InChI Key

QYQUQVGNGMMTFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.53

Polar Surface Area

45.838

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4234-0120 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4234-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4234-0120?
Check Price and Availability of 4234-0120, 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 4234-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4234-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4234-0120
  • 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 4234-0120 available by request