8139-0324 Screening compound: 1-(4-fluorophenyl)-3-({1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl}amino)dihydro-1H-pyrrole-2,5-dione

8139-0324 Screening compound: 1-(4-fluorophenyl)-3-({1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl}amino)dihydro-1H-pyrrole-2,5-dione
8139-0324 Screening compound: 1-(4-fluorophenyl)-3-({1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl}amino)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0324
1-(4-fluorophenyl)-3-({1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl}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

8139-0324

Molecular Formula

C21H20F4N4O2 (C21 H20 F4 N4 O2)

Compound Name

1-(4-fluorophenyl)-3-({1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl}amino)dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(4-fluorophenyl)-3-({1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)NC(CC2)CCN2c2ncc(C(F)(F)F)cc2)N1c(cc1)ccc1F

InChI

InChI=1S/C21H20F4N4O2/c22-14-2-4-16(5-3-14)29-19(30)11-17(20(29)31)27-15-7-9-28(10-8-15)18-6-1-13(12-26-18)21(23,24)25/h1-6,12,15,17,27H,7-11H2/t17-/m1/s1

InChI Key

SYSHFXMDZYEOCI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06616814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.736

Water Solubility, LogSw

-2.96

Polar Surface Area

52.496

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8139-0324 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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 8139-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0324?
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What is the minimum amount of 8139-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0324
  • 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 8139-0324 available by request