F486-0540 Screening compound: 6-(5-{[1,4'-bipiperidine]-1'-carbonyl}-1,2,4-oxadiazol-3-yl)-4-ethyl-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

F486-0540 Screening compound: 6-(5-{[1,4'-bipiperidine]-1'-carbonyl}-1,2,4-oxadiazol-3-yl)-4-ethyl-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
F486-0540 Screening compound: 6-(5-{[1,4'-bipiperidine]-1'-carbonyl}-1,2,4-oxadiazol-3-yl)-4-ethyl-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-0540
6-(5-{[1,4'-bipiperidine]-1'-carbonyl}-1,2,4-oxadiazol-3-yl)-4-ethyl-2-(4-fluorophenyl)-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

F486-0540

Molecular Formula

C24H28FN7O4 (C24 H28 FN7 O4)

Compound Name

6-(5-{[1,4'-bipiperidine]-1'-carbonyl}-1,2,4-oxadiazol-3-yl)-4-ethyl-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

6-(5-{[14'-bipiperidine]-1'-carbonyl}-124-oxadiazol-3-yl)-4-ethyl-2-(4-fluorophenyl)-2345-tetrahydro-124-triazine-35-dione

SMILES

CCN(C(C(c1noc(C(N(CC2)CCC2N2CCCCC2)=O)n1)=NN1c(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C24H28FN7O4/c1-2-31-22(33)19(27-32(24(31)35)18-8-6-16(25)7-9-18)20-26-21(36-28-20)23(34)30-14-10-17(11-15-30)29-12-4-3-5-13-29/h6-9,17H,2-5,10-15H2,1H3

InChI Key

CMHULWRHPGQDFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14956088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.523

Distribution Coefficient, logD

-0.916

Water Solubility, LogSw

-2.52

Polar Surface Area

93.660

Acid Dissociation Constant (pKa)

28.06

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F486-0540 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F486-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-0540?
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What is the minimum amount of F486-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-0540
  • 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 F486-0540 available by request