2219-0084 Screening compound: 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol

2219-0084 Screening compound: 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
2219-0084 Screening compound: 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2219-0084
5-(4-tert-butylphenyl)-4-(2-methylphenyl)-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

2219-0084

Molecular Formula

C19H21N3S (C19 H21 N3 S)

Compound Name

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

IUPAC name

5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-124-triazole-3-thiol

SMILES

CC(C)(C)c(cc1)ccc1-c(n1-c2c(C)cccc2)nnc1S

InChI

InChI=1S/C19H21N3S/c1-13-7-5-6-8-16(13)22-17(20-21-18(22)23)14-9-11-15(12-10-14)19(2,3)4/h5-12H,1-4H3,(H,21,23)

InChI Key

JBXKHZKTRVOGTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01408786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.470

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-5.73

Polar Surface Area

23.157

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

2219-0084 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2219-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2219-0084?
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What is the minimum amount of 2219-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2219-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2219-0084
  • 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 2219-0084 available by request