8019-9013 Screening compound: 4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol

8019-9013 Screening compound: 4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
8019-9013 Screening compound: 4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9013
4-phenyl-5-(2-phenylethyl)-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

8019-9013

Molecular Formula

C16H15N3S (C16 H15 N3 S)

Compound Name

4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

4-phenyl-5-(2-phenylethyl)-4H-124-triazole-3-thiol

SMILES

Sc1nnc(CCc2ccccc2)n1-c1ccccc1

InChI

InChI=1S/C16H15N3S/c20-16-18-17-15(12-11-13-7-3-1-4-8-13)19(16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20)

InChI Key

VXCWKKYFAOEINW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02018909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

1.584

Water Solubility, LogSw

-3.36

Polar Surface Area

24.434

Acid Dissociation Constant (pKa)

5.65

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8019-9013 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8019-9013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9013?
Check Price and Availability of 8019-9013, 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 8019-9013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9013
  • 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 8019-9013 available by request