F486-0921 Screening compound: 3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(thiophen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

F486-0921 Screening compound: 3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(thiophen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
F486-0921 Screening compound: 3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(thiophen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-0921
3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(thiophen-2-yl)methyl]-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

F486-0921

Molecular Formula

C20H18N6O4S (C20 H18 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(C(c1noc(C(NCc2cccs2)=O)n1)=NN1c2ccc(C)cc2)=O)C1=O

InChI

InChI=1S/C20H18N6O4S/c1-3-25-19(28)15(23-26(20(25)29)13-8-6-12(2)7-9-13)16-22-18(30-24-16)17(27)21-11-14-5-4-10-31-14/h4-10H,3,11H2,1-2H3,(H,21,27)

InChI Key

XHSKGMINNVAZIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.47

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

2.957

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-3.31

Polar Surface Area

99.350

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with F486-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-0921?
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What is the minimum amount of F486-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-0921
  • 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 F486-0921 available by request