J021-2563 Screening compound: 3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

J021-2563 Screening compound: 3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
J021-2563 Screening compound: 3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-2563
3-(3-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)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

J021-2563

Molecular Formula

C14H17N7O3S (C14 H17 N7 O3 S)

Compound Name

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

IUPAC name

3-(3-{[(5-ethyl-4H-124-triazol-3-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)-N-(5-methyl-12-oxazol-3-yl)propanamide

SMILES

CCc([nH]1)nnc1SCc1noc(CCC(Nc2noc(C)c2)=O)n1

InChI

InChI=1S/C14H17N7O3S/c1-3-9-17-14(19-18-9)25-7-11-16-13(24-21-11)5-4-12(22)15-10-6-8(2)23-20-10/h6H,3-5,7H2,1-2H3,(H,15,20,22)(H,17,18,19)

InChI Key

DNNJHQNGCJYTAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.207

Distribution Coefficient, logD

0.873

Water Solubility, LogSw

-2.25

Polar Surface Area

111.014

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

J021-2563 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J021-2563 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-2563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-2563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-2563
  • 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 J021-2563 available by request