4491-1411 Screening compound: 3-chloro-1-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

4491-1411 Screening compound: 3-chloro-1-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
4491-1411 Screening compound: 3-chloro-1-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1411
3-chloro-1-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-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

4491-1411

Molecular Formula

C21H20ClN3O2 (C21 H20 ClN3 O2)

Compound Name

3-chloro-1-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-chloro-1-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)-25-dihydro-1H-pyrrole-25-dione

SMILES

Cc(cccc1)c1N(C(C(N(CC1)CCN1c1ccccc1)=C1Cl)=O)C1=O

InChI

InChI=1S/C21H20ClN3O2/c1-15-7-5-6-10-17(15)25-20(26)18(22)19(21(25)27)24-13-11-23(12-14-24)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3

InChI Key

SVHPBNGFTKVLJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.779

Water Solubility, LogSw

-4.04

Polar Surface Area

35.481

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-10.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4491-1411 in Drug Discovery

Included in Screening Libraries

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 4491-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1411?
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What is the minimum amount of 4491-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1411
  • 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 4491-1411 available by request