J021-2566 Screening compound: 3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide

J021-2566 Screening compound: 3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
J021-2566 Screening compound: 3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-2566
3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide

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

J021-2566

Molecular Formula

C17H19FN6O2S (C17 H19 FN6 O2 S)

Compound Name

3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide

IUPAC name

3-(3-{[(5-ethyl-4H-124-triazol-3-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide

SMILES

CCc([nH]1)nnc1SCc1noc(CCC(Nc2c(C)ccc(F)c2)=O)n1

InChI

InChI=1S/C17H19FN6O2S/c1-3-13-21-17(23-22-13)27-9-14-20-16(26-24-14)7-6-15(25)19-12-8-11(18)5-4-10(12)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,25)(H,21,22,23)

InChI Key

JDXPGGZOMSSPCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.755

Distribution Coefficient, logD

1.421

Water Solubility, LogSw

-2.58

Polar Surface Area

88.521

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

J021-2566 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J021-2566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-2566?
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What is the minimum amount of J021-2566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-2566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-2566
  • 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 J021-2566 available by request