F486-0805 Screening compound: 3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

F486-0805 Screening compound: 3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
F486-0805 Screening compound: 3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-0805
3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

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

F486-0805

Molecular Formula

C21H24FN7O4 (C21 H24 FN7 O4)

Compound Name

3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[2-(4-fluorophenyl)-4-methyl-35-dioxo-2345-tetrahydro-124-triazin-6-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

CC1CCN(CCNC(c2nc(C(C(N3C)=O)=NN(c(cc4)ccc4F)C3=O)no2)=O)CC1

InChI

InChI=1S/C21H24FN7O4/c1-13-7-10-28(11-8-13)12-9-23-18(30)19-24-17(26-33-19)16-20(31)27(2)21(32)29(25-16)15-5-3-14(22)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,23,30)

InChI Key

ZFXGXANYDMQSIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.939

Distribution Coefficient, logD

0.449

Water Solubility, LogSw

-2.56

Polar Surface Area

102.197

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with F486-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-0805?
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What is the minimum amount of F486-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-0805
  • 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 F486-0805 available by request