F486-0467 Screening compound: N-(butan-2-yl)-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide

F486-0467 Screening compound: N-(butan-2-yl)-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
F486-0467 Screening compound: N-(butan-2-yl)-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-0467
N-(butan-2-yl)-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-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

F486-0467

Molecular Formula

C18H19FN6O4 (C18 H19 FN6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(c1nc(C(C(N2CC)=O)=NN(c(cc3)ccc3F)C2=O)no1)=O

InChI

InChI=1S/C18H19FN6O4/c1-4-10(3)20-15(26)16-21-14(23-29-16)13-17(27)24(5-2)18(28)25(22-13)12-8-6-11(19)7-9-12/h6-10H,4-5H2,1-3H3,(H,20,26)/t10-/m0/s1

InChI Key

MYWYKIFPLQYUQR-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27134006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.894

Distribution Coefficient, logD

1.894

Water Solubility, LogSw

-2.46

Polar Surface Area

98.045

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F486-0467 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 F486-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-0467?
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What is the minimum amount of F486-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-0467
  • 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 F486-0467 available by request