8003-2275 Screening compound: bis{4-[(E)-[(4-chlorophenyl)imino]methyl]phenyl} (2E)-but-2-enedioate

8003-2275 Screening compound: bis{4-[(E)-[(4-chlorophenyl)imino]methyl]phenyl} (2E)-but-2-enedioate
8003-2275 Screening compound: bis{4-[(E)-[(4-chlorophenyl)imino]methyl]phenyl} (2E)-but-2-enedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-2275
bis{4-[(E)-[(4-chlorophenyl)imino]methyl]phenyl} (2E)-but-2-enedioate

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

8003-2275

Molecular Formula

C30H20Cl2N2O4 (C30 H20 Cl2 N2 O4)

Compound Name

bis{4-[(E)-[(4-chlorophenyl)imino]methyl]phenyl} (2E)-but-2-enedioate

IUPAC name

bis{4-[(E)-[(4-chlorophenyl)imino]methyl]phenyl} (2E)-but-2-enedioate

SMILES

O=C(/C=C/C(Oc1ccc(/C=N/c(cc2)ccc2Cl)cc1)=O)Oc1ccc(/C=N/c(cc2)ccc2Cl)cc1

InChI

InChI=1S/C30H20Cl2N2O4/c31-23-5-9-25(10-6-23)33-19-21-1-13-27(14-2-21)37-29(35)17-18-30(36)38-28-15-3-22(4-16-28)20-34-26-11-7-24(32)8-12-26/h1-20H

InChI Key

PHBVZLHLTRJYAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00734571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.526

Distribution Coefficient, logD

6.525

Water Solubility, LogSw

-6.76

Polar Surface Area

56.331

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-2275 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-2275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-2275?
Check Price and Availability of 8003-2275, 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 8003-2275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-2275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-2275
  • 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 8003-2275 available by request