2219-0033 Screening compound: 4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol

2219-0033 Screening compound: 4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
2219-0033 Screening compound: 4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2219-0033
4-(4-methylphenyl)-5-(phenoxymethyl)-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

2219-0033

Molecular Formula

C16H15N3OS (C16 H15 N3 OS)

Compound Name

4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

4-(4-methylphenyl)-5-(phenoxymethyl)-4H-124-triazole-3-thiol

SMILES

Cc(cc1)ccc1-n1c(S)nnc1COc1ccccc1

InChI

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

InChI Key

KHMGQCYNQSFECJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01407804

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

3.129

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-3.03

Polar Surface Area

31.933

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2219-0033 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2219-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2219-0033?
Check Price and Availability of 2219-0033, 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 2219-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2219-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2219-0033
  • 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 2219-0033 available by request