F486-0239 Screening compound: 4-methyl-2-phenyl-6-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

F486-0239 Screening compound: 4-methyl-2-phenyl-6-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
F486-0239 Screening compound: 4-methyl-2-phenyl-6-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-0239
4-methyl-2-phenyl-6-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-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

F486-0239

Molecular Formula

C17H16N6O4 (C17 H16 N6 O4)

Compound Name

4-methyl-2-phenyl-6-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

4-methyl-2-phenyl-6-[5-(pyrrolidine-1-carbonyl)-124-oxadiazol-3-yl]-2345-tetrahydro-124-triazine-35-dione

SMILES

CN(C(C(c1noc(C(N2CCCC2)=O)n1)=NN1c2ccccc2)=O)C1=O

InChI

InChI=1S/C17H16N6O4/c1-21-15(24)12(19-23(17(21)26)11-7-3-2-4-8-11)13-18-14(27-20-13)16(25)22-9-5-6-10-22/h2-4,7-8H,5-6,9-10H2,1H3

InChI Key

KRQSQHJKDAKGLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27133947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.518

Distribution Coefficient, logD

1.518

Water Solubility, LogSw

-1.90

Polar Surface Area

90.974

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

F486-0239 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F486-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-0239?
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What is the minimum amount of F486-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-0239
  • 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 F486-0239 available by request