F486-0656 Screening compound: 2-(4-fluorophenyl)-4-methyl-6-[5-(4-methylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

F486-0656 Screening compound: 2-(4-fluorophenyl)-4-methyl-6-[5-(4-methylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
F486-0656 Screening compound: 2-(4-fluorophenyl)-4-methyl-6-[5-(4-methylpiperazine-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 F486-0656
2-(4-fluorophenyl)-4-methyl-6-[5-(4-methylpiperazine-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

F486-0656

Molecular Formula

C18H18FN7O4 (C18 H18 FN7 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(c1nc(C(C(N2C)=O)=NN(c(cc3)ccc3F)C2=O)no1)=O

InChI

InChI=1S/C18H18FN7O4/c1-23-7-9-25(10-8-23)17(28)15-20-14(22-30-15)13-16(27)24(2)18(29)26(21-13)12-5-3-11(19)4-6-12/h3-6H,7-10H2,1-2H3

InChI Key

XJLHHFDDYWXPAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.774

Distribution Coefficient, logD

0.645

Water Solubility, LogSw

-1.26

Polar Surface Area

94.084

Acid Dissociation Constant (pKa)

28.83

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F486-0656 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F486-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-0656?
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What is the minimum amount of F486-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-0656
  • 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 F486-0656 available by request