8139-0276 Screening compound: 3-{[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]amino}-1-(4-fluorophenyl)pyrrolidine-2,5-dione

8139-0276 Screening compound: 3-{[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]amino}-1-(4-fluorophenyl)pyrrolidine-2,5-dione
8139-0276 Screening compound: 3-{[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]amino}-1-(4-fluorophenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0276
3-{[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]amino}-1-(4-fluorophenyl)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

8139-0276

Molecular Formula

C21H21ClFN3O4S (C21 H21 ClFN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C1=O)NC(CC2)CCN2S(c(cc2)ccc2Cl)(=O)=O)N1c(cc1)ccc1F

InChI

InChI=1S/C21H21ClFN3O4S/c22-14-1-7-18(8-2-14)31(29,30)25-11-9-16(10-12-25)24-19-13-20(27)26(21(19)28)17-5-3-15(23)4-6-17/h1-8,16,19,24H,9-13H2/t19-/m0/s1

InChI Key

TVBZQSKQYNUXHR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06017083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-3.30

Polar Surface Area

72.153

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8139-0276 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8139-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0276?
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What is the minimum amount of 8139-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0276
  • 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 8139-0276 available by request