E786-0094 Screening compound: 3-(4-chlorophenyl)-4-[(2,5-dimethoxyphenyl)amino]cyclobut-3-ene-1,2-dione

E786-0094 Screening compound: 3-(4-chlorophenyl)-4-[(2,5-dimethoxyphenyl)amino]cyclobut-3-ene-1,2-dione
E786-0094 Screening compound: 3-(4-chlorophenyl)-4-[(2,5-dimethoxyphenyl)amino]cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-0094
3-(4-chlorophenyl)-4-[(2,5-dimethoxyphenyl)amino]cyclobut-3-ene-1,2-dione

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

E786-0094

Molecular Formula

C18H14ClNO4 (C18 H14 ClNO4)

Compound Name

3-(4-chlorophenyl)-4-[(2,5-dimethoxyphenyl)amino]cyclobut-3-ene-1,2-dione

IUPAC name

3-(4-chlorophenyl)-4-[(25-dimethoxyphenyl)amino]cyclobut-3-ene-12-dione

SMILES

COc(cc1)cc(NC(C(C2=O)=O)=C2c(cc2)ccc2Cl)c1OC

InChI

InChI=1S/C18H14ClNO4/c1-23-12-7-8-14(24-2)13(9-12)20-16-15(17(21)18(16)22)10-3-5-11(19)6-4-10/h3-9,20H,1-2H3

InChI Key

QZEPBDUEZSGFSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.784

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-4.35

Polar Surface Area

50.371

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E786-0094 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with E786-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-0094?
Check Price and Availability of E786-0094, 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 E786-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-0094
  • 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 E786-0094 available by request