4850-0747 Screening compound: 4-phenyl-5-[2-(4-propoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol

4850-0747 Screening compound: 4-phenyl-5-[2-(4-propoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
4850-0747 Screening compound: 4-phenyl-5-[2-(4-propoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4850-0747
4-phenyl-5-[2-(4-propoxyphenyl)ethyl]-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

4850-0747

Molecular Formula

C19H21N3OS (C19 H21 N3 OS)

Compound Name

4-phenyl-5-[2-(4-propoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol

IUPAC name

4-phenyl-5-[2-(4-propoxyphenyl)ethyl]-4H-124-triazole-3-thiol

SMILES

CCCOc1ccc(CCc(n2-c3ccccc3)nnc2S)cc1

InChI

InChI=1S/C19H21N3OS/c1-2-14-23-17-11-8-15(9-12-17)10-13-18-20-21-19(24)22(18)16-6-4-3-5-7-16/h3-9,11-12H,2,10,13-14H2,1H3,(H,21,24)

InChI Key

SMFXJLYFZLRLBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01960259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.301

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-4.29

Polar Surface Area

31.852

Acid Dissociation Constant (pKa)

5.65

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4850-0747 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4850-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4850-0747?
Check Price and Availability of 4850-0747, 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 4850-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4850-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4850-0747
  • 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 4850-0747 available by request