8014-7598 Screening compound: 3-(4-methylpiperazin-1-yl)-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}pyrrolidine-2,5-dione

8014-7598 Screening compound: 3-(4-methylpiperazin-1-yl)-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}pyrrolidine-2,5-dione
8014-7598 Screening compound: 3-(4-methylpiperazin-1-yl)-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7598
3-(4-methylpiperazin-1-yl)-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}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

8014-7598

Molecular Formula

C20H26N4O3 (C20 H26 N4 O3)

Compound Name

3-(4-methylpiperazin-1-yl)-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}pyrrolidine-2,5-dione

IUPAC name

3-(4-methylpiperazin-1-yl)-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}pyrrolidine-25-dione

SMILES

CN(CC1)CCN1C(CC(N1Cc(cc2)ccc2N(CCC2)C2=O)=O)C1=O

InChI

InChI=1S/C20H26N4O3/c1-21-9-11-22(12-10-21)17-13-19(26)24(20(17)27)14-15-4-6-16(7-5-15)23-8-2-3-18(23)25/h4-7,17H,2-3,8-14H2,1H3/t17-/m0/s1

InChI Key

NKKCMNHDEXYCMR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03676393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.327

Distribution Coefficient, logD

0.051

Water Solubility, LogSw

-1.50

Polar Surface Area

52.892

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

7.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

8014-7598 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8014-7598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7598?
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What is the minimum amount of 8014-7598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7598
  • 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 8014-7598 available by request