8139-0118 Screening compound: 3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

8139-0118 Screening compound: 3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
8139-0118 Screening compound: 3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0118
3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)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

8139-0118

Molecular Formula

C24H26ClN3O4 (C24 H26 ClN3 O4)

Compound Name

3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

IUPAC name

3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-25-dione

SMILES

CCOc(cc1)ccc1N(C(CC1NC(CC2)CCN2C(c2cccc(Cl)c2)=O)=O)C1=O

InChI

InChI=1S/C24H26ClN3O4/c1-2-32-20-8-6-19(7-9-20)28-22(29)15-21(24(28)31)26-18-10-12-27(13-11-18)23(30)16-4-3-5-17(25)14-16/h3-9,14,18,21,26H,2,10-13,15H2,1H3/t21-/m0/s1

InChI Key

NBJROFHAWJAQFR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06007944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.266

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-3.54

Polar Surface Area

64.214

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8139-0118 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8139-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0118?
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What is the minimum amount of 8139-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0118
  • 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 8139-0118 available by request