E786-0009 Screening compound: ethyl 1-[2-(4-chlorophenyl)-3,4-dioxocyclobut-1-en-1-yl]piperidine-2-carboxylate

E786-0009 Screening compound: ethyl 1-[2-(4-chlorophenyl)-3,4-dioxocyclobut-1-en-1-yl]piperidine-2-carboxylate
E786-0009 Screening compound: ethyl 1-[2-(4-chlorophenyl)-3,4-dioxocyclobut-1-en-1-yl]piperidine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-0009
ethyl 1-[2-(4-chlorophenyl)-3,4-dioxocyclobut-1-en-1-yl]piperidine-2-carboxylate

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

E786-0009

Molecular Formula

C18H18ClNO4 (C18 H18 ClNO4)

Compound Name

ethyl 1-[2-(4-chlorophenyl)-3,4-dioxocyclobut-1-en-1-yl]piperidine-2-carboxylate

IUPAC name

ethyl 1-[2-(4-chlorophenyl)-34-dioxocyclobut-1-en-1-yl]piperidine-2-carboxylate

SMILES

CCOC(C(CCCC1)N1C(C(C1=O)=O)=C1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H18ClNO4/c1-2-24-18(23)13-5-3-4-10-20(13)15-14(16(21)17(15)22)11-6-8-12(19)9-7-11/h6-9,13H,2-5,10H2,1H3/t13-/m0/s1

InChI Key

MHUOZYJWOQQMNU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14918472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-4.01

Polar Surface Area

50.601

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

E786-0009 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E786-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-0009?
Check Price and Availability of E786-0009, 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 E786-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-0009
  • 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 E786-0009 available by request