8139-0143 Screening compound: ethyl 4-(3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

8139-0143 Screening compound: ethyl 4-(3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate
8139-0143 Screening compound: ethyl 4-(3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0143
ethyl 4-(3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

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

8139-0143

Molecular Formula

C25H26ClN3O5 (C25 H26 ClN3 O5)

Compound Name

ethyl 4-(3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

IUPAC name

ethyl 4-(3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-25-dioxopyrrolidin-1-yl)benzoate

SMILES

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

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.95

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.499

Distribution Coefficient, logD

2.489

Water Solubility, LogSw

-3.57

Polar Surface Area

77.844

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

8139-0143 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8139-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0143?
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What is the minimum amount of 8139-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0143
  • 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 8139-0143 available by request