5742-0971 Screening compound: 2-(1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethylidene)-2,3-dihydro-1H-indene-1,3-dione

5742-0971 Screening compound: 2-(1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethylidene)-2,3-dihydro-1H-indene-1,3-dione
5742-0971 Screening compound: 2-(1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethylidene)-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-0971
2-(1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethylidene)-2,3-dihydro-1H-indene-1,3-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

5742-0971

Molecular Formula

C24H24N2O2 (C24 H24 N2 O2)

Compound Name

2-(1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethylidene)-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-(1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethylidene)-23-dihydro-1H-indene-13-dione

SMILES

CC(N1CCN(C/C=C/c2ccccc2)CC1)=C(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C24H24N2O2/c1-18(22-23(27)20-11-5-6-12-21(20)24(22)28)26-16-14-25(15-17-26)13-7-10-19-8-3-2-4-9-19/h2-12H,13-17H2,1H3

InChI Key

YMYJGJWXEKRWHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03612871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-4.00

Polar Surface Area

33.347

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5742-0971 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5742-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-0971?
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What is the minimum amount of 5742-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-0971
  • 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 5742-0971 available by request