8009-0283 Screening compound: 5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

8009-0283 Screening compound: 5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
8009-0283 Screening compound: 5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0283
5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-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

8009-0283

Molecular Formula

C13H15N3OS (C13 H15 N3 OS)

Compound Name

5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-124-triazole-3-thiol

SMILES

Cc(cccc1)c1OCc(n1CC=C)nnc1S

InChI

InChI=1S/C13H15N3OS/c1-3-8-16-12(14-15-13(16)18)9-17-11-7-5-4-6-10(11)2/h3-7H,1,8-9H2,2H3,(H,15,18)

InChI Key

UXZAKEGSCMCZGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

2.039

Water Solubility, LogSw

-2.36

Polar Surface Area

31.526

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8009-0283 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0283?
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What is the minimum amount of 8009-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0283
  • 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 8009-0283 available by request