E470-0311 Screening compound: 3-{[2-(4-chlorophenyl)ethyl]amino}-4-phenylcyclobut-3-ene-1,2-dione

E470-0311 Screening compound: 3-{[2-(4-chlorophenyl)ethyl]amino}-4-phenylcyclobut-3-ene-1,2-dione
E470-0311 Screening compound: 3-{[2-(4-chlorophenyl)ethyl]amino}-4-phenylcyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-0311
3-{[2-(4-chlorophenyl)ethyl]amino}-4-phenylcyclobut-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

E470-0311

Molecular Formula

C18H14ClNO2 (C18 H14 ClNO2)

Compound Name

3-{[2-(4-chlorophenyl)ethyl]amino}-4-phenylcyclobut-3-ene-1,2-dione

IUPAC name

3-{[2-(4-chlorophenyl)ethyl]amino}-4-phenylcyclobut-3-ene-12-dione

SMILES

O=C(C1=O)C(c2ccccc2)=C1NCCc(cc1)ccc1Cl

InChI

InChI=1S/C18H14ClNO2/c19-14-8-6-12(7-9-14)10-11-20-16-15(17(21)18(16)22)13-4-2-1-3-5-13/h1-9,20H,10-11H2

InChI Key

ZSUGZLQQJMFRQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.77

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

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.67

Polar Surface Area

37.058

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E470-0311 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with E470-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-0311?
Check Price and Availability of E470-0311, 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 E470-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-0311
  • 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 E470-0311 available by request