E882-0536 Screening compound: 3-[(4-methylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

E882-0536 Screening compound: 3-[(4-methylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
E882-0536 Screening compound: 3-[(4-methylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-0536
3-[(4-methylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)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

E882-0536

Molecular Formula

C20H25NO2 (C20 H25 NO2)

Compound Name

3-[(4-methylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

IUPAC name

3-[(4-methylcyclohexyl)amino]-4-(245-trimethylphenyl)cyclobut-3-ene-12-dione

SMILES

CC(CC1)CCC1NC(C(C1=O)=O)=C1c1c(C)cc(C)c(C)c1

InChI

InChI=1S/C20H25NO2/c1-11-5-7-15(8-6-11)21-18-17(19(22)20(18)23)16-10-13(3)12(2)9-14(16)4/h9-11,15,21H,5-8H2,1-4H3

InChI Key

MMBDMIGRNPCTKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925550

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

5.547

Distribution Coefficient, logD

5.547

Water Solubility, LogSw

-5.40

Polar Surface Area

36.942

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E882-0536 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 E882-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-0536?
Check Price and Availability of E882-0536, 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 E882-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-0536
  • 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 E882-0536 available by request