4234-0244 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-chlorobenzene-1-sulfonate

4234-0244 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-chlorobenzene-1-sulfonate
4234-0244 Screening compound: (4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-chlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4234-0244
(4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-chlorobenzene-1-sulfonate

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

4234-0244

Molecular Formula

C12H8ClNO4S (C12 H8 ClNO4 S)

Compound Name

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

IUPAC name

(4-oxocyclohexa-25-dien-1-ylidene)amino 4-chlorobenzene-1-sulfonate

SMILES

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

InChI

InChI=1S/C12H8ClNO4S/c13-9-1-7-12(8-2-9)19(16,17)18-14-10-3-5-11(15)6-4-10/h1-8H

InChI Key

XZLOCAHFIPWDSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-2.88

Polar Surface Area

61.456

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4234-0244 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4234-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4234-0244?
Check Price and Availability of 4234-0244, 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 4234-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4234-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4234-0244
  • 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 4234-0244 available by request