4729-0768 Screening compound: 1-(4-methylphenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione

4729-0768 Screening compound: 1-(4-methylphenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione
4729-0768 Screening compound: 1-(4-methylphenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4729-0768
1-(4-methylphenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-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

4729-0768

Molecular Formula

C24H27N3O2 (C24 H27 N3 O2)

Compound Name

1-(4-methylphenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione

IUPAC name

1-(4-methylphenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-25-dione

SMILES

Cc(cc1)ccc1N(C(CC1N2CCN(C/C=C/c3ccccc3)CC2)=O)C1=O

InChI

InChI=1S/C24H27N3O2/c1-19-9-11-21(12-10-19)27-23(28)18-22(24(27)29)26-16-14-25(15-17-26)13-5-8-20-6-3-2-4-7-20/h2-12,22H,13-18H2,1H3/t22-/m0/s1

InChI Key

RYAWCTNXSMXGIG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02318299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.759

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-2.79

Polar Surface Area

35.507

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4729-0768 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4729-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4729-0768?
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What is the minimum amount of 4729-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4729-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4729-0768
  • 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 4729-0768 available by request