8139-0369 Screening compound: 1-(3-CHLORO-4-FLUOROPHENYL)-3-[4-(4-PYRIDYL)PIPERIDINO]DIHYDRO-1H-PYRROLE-2,5-DIONE

8139-0369 Screening compound: 1-(3-CHLORO-4-FLUOROPHENYL)-3-[4-(4-PYRIDYL)PIPERIDINO]DIHYDRO-1H-PYRROLE-2,5-DIONE
8139-0369 Screening compound: 1-(3-CHLORO-4-FLUOROPHENYL)-3-[4-(4-PYRIDYL)PIPERIDINO]DIHYDRO-1H-PYRROLE-2,5-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0369
1-(3-CHLORO-4-FLUOROPHENYL)-3-[4-(4-PYRIDYL)PIPERIDINO]DIHYDRO-1H-PYRROLE-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

8139-0369

Molecular Formula

C20H19ClFN3O2 (C20 H19 ClFN3 O2)

Compound Name

1-(3-CHLORO-4-FLUOROPHENYL)-3-[4-(4-PYRIDYL)PIPERIDINO]DIHYDRO-1H-PYRROLE-2,5-DIONE

IUPAC name

1-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N(CC2)CCC2c2ccncc2)N1c(cc1)cc(Cl)c1F

InChI

InChI=1S/C20H19ClFN3O2/c21-16-11-15(1-2-17(16)22)25-19(26)12-18(20(25)27)24-9-5-14(6-10-24)13-3-7-23-8-4-13/h1-4,7-8,11,14,18H,5-6,9-10,12H2/t18-/m1/s1

InChI Key

HQRBWMQRKQUBPI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06617170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

2.303

Water Solubility, LogSw

-3.12

Polar Surface Area

41.145

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

8139-0369 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Others
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8139-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0369?
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What is the minimum amount of 8139-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0369
  • 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 8139-0369 available by request