E786-0011 Screening compound: 3-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]amino}cyclobut-3-ene-1,2-dione

E786-0011 Screening compound: 3-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]amino}cyclobut-3-ene-1,2-dione
E786-0011 Screening compound: 3-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]amino}cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-0011
3-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]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

E786-0011

Molecular Formula

C17H9ClF3NO2 (C17 H9 ClF3 NO2)

Compound Name

3-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]amino}cyclobut-3-ene-1,2-dione

IUPAC name

3-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]amino}cyclobut-3-ene-12-dione

SMILES

O=C(C1=O)C(c(cc2)ccc2Cl)=C1Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C17H9ClF3NO2/c18-11-6-4-9(5-7-11)13-14(16(24)15(13)23)22-12-3-1-2-10(8-12)17(19,20)21/h1-8,22H

InChI Key

SHPRURWHSSKAEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.821

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-5.06

Polar Surface Area

35.894

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

E786-0011 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E786-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-0011?
Check Price and Availability of E786-0011, 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 E786-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-0011
  • 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 E786-0011 available by request