8009-7308 Screening compound: 5-(4-tert-butylphenyl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol

8009-7308 Screening compound: 5-(4-tert-butylphenyl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
8009-7308 Screening compound: 5-(4-tert-butylphenyl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7308
5-(4-tert-butylphenyl)-4-cyclohexyl-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

8009-7308

Molecular Formula

C18H25N3S (C18 H25 N3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1-c(n1C2CCCCC2)nnc1S

InChI

InChI=1S/C18H25N3S/c1-18(2,3)14-11-9-13(10-12-14)16-19-20-17(22)21(16)15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,20,22)

InChI Key

QKYJPEVPLQIUFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.48

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

5.409

Distribution Coefficient, logD

5.248

Water Solubility, LogSw

-5.49

Polar Surface Area

23.291

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

8009-7308 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-7308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7308?
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What is the minimum amount of 8009-7308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7308
  • 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 8009-7308 available by request