8139-0219 Screening compound: 1-(4-chlorophenyl)-3-({3-[4-(4-fluorophenyl)piperazino]propyl}amino)dihydro-1H-pyrrole-2,5-dione

8139-0219 Screening compound: 1-(4-chlorophenyl)-3-({3-[4-(4-fluorophenyl)piperazino]propyl}amino)dihydro-1H-pyrrole-2,5-dione
8139-0219 Screening compound: 1-(4-chlorophenyl)-3-({3-[4-(4-fluorophenyl)piperazino]propyl}amino)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0219
1-(4-chlorophenyl)-3-({3-[4-(4-fluorophenyl)piperazino]propyl}amino)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

8139-0219

Molecular Formula

C23H26ClFN4O2 (C23 H26 ClFN4 O2)

Compound Name

1-(4-chlorophenyl)-3-({3-[4-(4-fluorophenyl)piperazino]propyl}amino)dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(4-chlorophenyl)-3-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}amino)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)NCCCN(CC2)CCN2c(cc2)ccc2F)N1c(cc1)ccc1Cl

InChI

InChI=1S/C23H26ClFN4O2/c24-17-2-6-20(7-3-17)29-22(30)16-21(23(29)31)26-10-1-11-27-12-14-28(15-13-27)19-8-4-18(25)5-9-19/h2-9,21,26H,1,10-16H2/t21-/m1/s1

InChI Key

AMGBDWDUFPVZLA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06756460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.993

Distribution Coefficient, logD

1.747

Water Solubility, LogSw

-2.87

Polar Surface Area

47.993

Acid Dissociation Constant (pKa)

17.23

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

8139-0219 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Nervous system
Targets:
  • Proteases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8139-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0219?
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What is the minimum amount of 8139-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0219
  • 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 8139-0219 available by request