E470-0685 Screening compound: 3-[(2,3-dimethylcyclohexyl)amino]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione

E470-0685 Screening compound: 3-[(2,3-dimethylcyclohexyl)amino]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
E470-0685 Screening compound: 3-[(2,3-dimethylcyclohexyl)amino]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-0685
3-[(2,3-dimethylcyclohexyl)amino]-4-(3,4-dimethylphenyl)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

E470-0685

Molecular Formula

C20H25NO2 (C20 H25 NO2)

Compound Name

3-[(2,3-dimethylcyclohexyl)amino]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione

IUPAC name

3-[(23-dimethylcyclohexyl)amino]-4-(34-dimethylphenyl)cyclobut-3-ene-12-dione

SMILES

CC(CCC1)C(C)C1NC(C(C1=O)=O)=C1c1cc(C)c(C)cc1

InChI

InChI=1S/C20H25NO2/c1-11-8-9-15(10-13(11)3)17-18(20(23)19(17)22)21-16-7-5-6-12(2)14(16)4/h8-10,12,14,16,21H,5-7H2,1-4H3

InChI Key

RLWHHOSKOOVOKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.23

Polar Surface Area

37.332

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

E470-0685 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E470-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-0685?
Check Price and Availability of E470-0685, 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 E470-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-0685
  • 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 E470-0685 available by request