6026-0064 Screening compound: 5-[(2-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol

6026-0064 Screening compound: 5-[(2-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
6026-0064 Screening compound: 5-[(2-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6026-0064
5-[(2-methylphenoxy)methyl]-4-phenyl-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

6026-0064

Molecular Formula

C16H15N3OS (C16 H15 N3 OS)

Compound Name

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

IUPAC name

5-[(2-methylphenoxy)methyl]-4-phenyl-4H-124-triazole-3-thiol

SMILES

Cc(cccc1)c1OCc(n1-c2ccccc2)nnc1S

InChI

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

InChI Key

SQFPWKNPZIGKGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00299245

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

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.088

Distribution Coefficient, logD

1.828

Water Solubility, LogSw

-3.12

Polar Surface Area

32.020

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6026-0064 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

BRD4 Targeted Library (4534 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6026-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6026-0064?
Check Price and Availability of 6026-0064, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6026-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6026-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6026-0064
  • 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 6026-0064 available by request