8014-7594 Screening compound: 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}pyrrolidine-2,5-dione

8014-7594 Screening compound: 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}pyrrolidine-2,5-dione
8014-7594 Screening compound: 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7594
3-[4-(4-fluorophenyl)piperazin-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

8014-7594

Molecular Formula

C25H27FN4O3 (C25 H27 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC1)N1c1ccc(CN(C(CC2N(CC3)CCN3c(cc3)ccc3F)=O)C2=O)cc1

InChI

InChI=1S/C25H27FN4O3/c26-19-5-9-20(10-6-19)27-12-14-28(15-13-27)22-16-24(32)30(25(22)33)17-18-3-7-21(8-4-18)29-11-1-2-23(29)31/h3-10,22H,1-2,11-17H2/t22-/m0/s1

InChI Key

DEXPSLKLBGYAIY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03678129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

2.295

Water Solubility, LogSw

-2.68

Polar Surface Area

52.676

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8014-7594 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-7594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7594?
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What is the minimum amount of 8014-7594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7594
  • 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 8014-7594 available by request