E786-0010 Screening compound: 3-(4-chlorophenyl)-4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}cyclobut-3-ene-1,2-dione

E786-0010 Screening compound: 3-(4-chlorophenyl)-4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}cyclobut-3-ene-1,2-dione
E786-0010 Screening compound: 3-(4-chlorophenyl)-4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-0010
3-(4-chlorophenyl)-4-{[2-(cyclohex-1-en-1-yl)ethyl]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

E786-0010

Molecular Formula

C18H18ClNO2 (C18 H18 ClNO2)

Compound Name

3-(4-chlorophenyl)-4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}cyclobut-3-ene-1,2-dione

IUPAC name

3-(4-chlorophenyl)-4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}cyclobut-3-ene-12-dione

SMILES

O=C(C1=O)C(c(cc2)ccc2Cl)=C1NCCC1=CCCCC1

InChI

InChI=1S/C18H18ClNO2/c19-14-8-6-13(7-9-14)15-16(18(22)17(15)21)20-11-10-12-4-2-1-3-5-12/h4,6-9,20H,1-3,5,10-11H2

InChI Key

NZKCKNDPDLTLIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-4.39

Polar Surface Area

37.250

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E786-0010 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E786-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-0010?
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What is the minimum amount of E786-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-0010
  • 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 E786-0010 available by request