8139-0329 Screening compound: 1-(4-fluorophenyl)-3-{[1-(pyrimidin-2-yl)piperidin-4-yl]amino}pyrrolidine-2,5-dione

8139-0329 Screening compound: 1-(4-fluorophenyl)-3-{[1-(pyrimidin-2-yl)piperidin-4-yl]amino}pyrrolidine-2,5-dione
8139-0329 Screening compound: 1-(4-fluorophenyl)-3-{[1-(pyrimidin-2-yl)piperidin-4-yl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0329
1-(4-fluorophenyl)-3-{[1-(pyrimidin-2-yl)piperidin-4-yl]amino}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

8139-0329

Molecular Formula

C19H20FN5O2 (C19 H20 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C1=O)NC(CC2)CCN2c2ncccn2)N1c(cc1)ccc1F

InChI

InChI=1S/C19H20FN5O2/c20-13-2-4-15(5-3-13)25-17(26)12-16(18(25)27)23-14-6-10-24(11-7-14)19-21-8-1-9-22-19/h1-5,8-9,14,16,23H,6-7,10-12H2/t16-/m1/s1

InChI Key

KJMMVXZTXUOYLF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06616819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.356

Distribution Coefficient, logD

1.355

Water Solubility, LogSw

-1.95

Polar Surface Area

62.257

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

8139-0329 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 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
  • 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 8139-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0329?
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What is the minimum amount of 8139-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0329
  • 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 8139-0329 available by request