E882-0471 Screening compound: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

E882-0471 Screening compound: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
E882-0471 Screening compound: 3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-0471
3-[4-(2-methoxyphenyl)piperazin-1-yl]-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

E882-0471

Molecular Formula

C24H26N2O3 (C24 H26 N2 O3)

Compound Name

3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

IUPAC name

3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(245-trimethylphenyl)cyclobut-3-ene-12-dione

SMILES

Cc(c(C)c1)cc(C)c1C(C(C1=O)=O)=C1N(CC1)CCN1c(cccc1)c1OC

InChI

InChI=1S/C24H26N2O3/c1-15-13-17(3)18(14-16(15)2)21-22(24(28)23(21)27)26-11-9-25(10-12-26)19-7-5-6-8-20(19)29-4/h5-8,13-14H,9-12H2,1-4H3

InChI Key

MGJFMROJDKVTSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.016

Distribution Coefficient, logD

5.016

Water Solubility, LogSw

-4.66

Polar Surface Area

40.743

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E882-0471 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with E882-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-0471?
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What is the minimum amount of E882-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-0471
  • 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 E882-0471 available by request