8008-4319 Screening compound: 3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole

8008-4319 Screening compound: 3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole
8008-4319 Screening compound: 3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4319
3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole

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

8008-4319

Molecular Formula

C17H17N3OS (C17 H17 N3 OS)

Compound Name

3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-1,2,4-triazole

IUPAC name

3-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-phenyl-4H-124-triazole

SMILES

Cn1c(SCc(cc2)ccc2OC)nnc1-c1ccccc1

InChI

InChI=1S/C17H17N3OS/c1-20-16(14-6-4-3-5-7-14)18-19-17(20)22-12-13-8-10-15(21-2)11-9-13/h3-11H,12H2,1-2H3

InChI Key

NPABVKBKBFUMHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01306429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.417

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.62

Polar Surface Area

32.595

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8008-4319 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Anti-HIV1 Library (19540 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-4319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4319?
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What is the minimum amount of 8008-4319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4319
  • 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 8008-4319 available by request