5750-2794 Screening compound: 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole

5750-2794 Screening compound: 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole
5750-2794 Screening compound: 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-2794
3-(benzylsulfanyl)-5-(4-methoxyphenyl)-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

5750-2794

Molecular Formula

C16H15N3OS (C16 H15 N3 OS)

Compound Name

3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole

IUPAC name

3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4H-124-triazole

SMILES

COc(cc1)ccc1-c([nH]1)nnc1SCc1ccccc1

InChI

InChI=1S/C16H15N3OS/c1-20-14-9-7-13(8-10-14)15-17-16(19-18-15)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18,19)

InChI Key

TVJONTNYQQWZMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03294472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

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

3.168

Distribution Coefficient, logD

1.940

Water Solubility, LogSw

-3.25

Polar Surface Area

40.018

Acid Dissociation Constant (pKa)

6.04

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

5750-2794 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5750-2794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2794?
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What is the minimum amount of 5750-2794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2794
  • 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 5750-2794 available by request