F486-0322 Screening compound: 6-[5-(4-cyclohexylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

F486-0322 Screening compound: 6-[5-(4-cyclohexylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
F486-0322 Screening compound: 6-[5-(4-cyclohexylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-0322
6-[5-(4-cyclohexylpiperazine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-phenyl-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

F486-0322

Molecular Formula

C23H27N7O4 (C23 H27 N7 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(c1noc(C(N(CC2)CCN2C2CCCCC2)=O)n1)=NN1c2ccccc2)=O)C1=O

InChI

InChI=1S/C23H27N7O4/c1-27-21(31)18(25-30(23(27)33)17-10-6-3-7-11-17)19-24-20(34-26-19)22(32)29-14-12-28(13-15-29)16-8-4-2-5-9-16/h3,6-7,10-11,16H,2,4-5,8-9,12-15H2,1H3

InChI Key

FMZMXYBLBISJOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27133974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

2.302

Water Solubility, LogSw

-2.46

Polar Surface Area

93.701

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

F486-0322 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F486-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-0322?
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What is the minimum amount of F486-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-0322
  • 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 F486-0322 available by request