8004-2822 Screening compound: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

8004-2822 Screening compound: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
8004-2822 Screening compound: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2822
3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)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

8004-2822

Molecular Formula

C21H22ClN3O3 (C21 H22 ClN3 O3)

Compound Name

3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

IUPAC name

3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-25-dione

SMILES

COc(cc1)ccc1N(C(CC1N(CC2)CCN2c2cccc(Cl)c2)=O)C1=O

InChI

InChI=1S/C21H22ClN3O3/c1-28-18-7-5-16(6-8-18)25-20(26)14-19(21(25)27)24-11-9-23(10-12-24)17-4-2-3-15(22)13-17/h2-8,13,19H,9-12,14H2,1H3/t19-/m0/s1

InChI Key

JLTNYZGRBNLCAA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00469902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-3.14

Polar Surface Area

42.792

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8004-2822 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8004-2822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2822?
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What is the minimum amount of 8004-2822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2822
  • 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 8004-2822 available by request