6048-0021 Screening compound: 4-ethyl-5-(5-methyl-1,2-oxazol-3-yl)-4H-1,2,4-triazole-3-thiol

6048-0021 Screening compound: 4-ethyl-5-(5-methyl-1,2-oxazol-3-yl)-4H-1,2,4-triazole-3-thiol
6048-0021 Screening compound: 4-ethyl-5-(5-methyl-1,2-oxazol-3-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0021
4-ethyl-5-(5-methyl-1,2-oxazol-3-yl)-4H-1,2,4-triazole-3-thiol

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

6048-0021

Molecular Formula

C8H10N4OS (C8 H10 N4 OS)

Compound Name

4-ethyl-5-(5-methyl-1,2-oxazol-3-yl)-4H-1,2,4-triazole-3-thiol

IUPAC name

4-ethyl-5-(5-methyl-12-oxazol-3-yl)-4H-124-triazole-3-thiol

SMILES

CCn1c(S)nnc1-c1noc(C)c1

InChI

InChI=1S/C8H10N4OS/c1-3-12-7(9-10-8(12)14)6-4-5(2)13-11-6/h4H,3H2,1-2H3,(H,10,14)

InChI Key

AENYQAYVFQGISD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03075157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.457

Distribution Coefficient, logD

1.363

Water Solubility, LogSw

-1.25

Polar Surface Area

43.939

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

6048-0021 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6048-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0021?
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What is the minimum amount of 6048-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0021
  • 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 6048-0021 available by request