8012-4166 Screening compound: 3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole

8012-4166 Screening compound: 3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
8012-4166 Screening compound: 3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4166
3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole

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

8012-4166

Molecular Formula

C25H24ClN3S (C25 H24 ClN3 S)

Compound Name

3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole

IUPAC name

3-(4-tert-butylphenyl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-124-triazole

SMILES

CC(C)(C)c(cc1)ccc1-c(n1-c2ccccc2)nnc1SCc(cccc1)c1Cl

InChI

InChI=1S/C25H24ClN3S/c1-25(2,3)20-15-13-18(14-16-20)23-27-28-24(29(23)21-10-5-4-6-11-21)30-17-19-9-7-8-12-22(19)26/h4-16H,17H2,1-3H3

InChI Key

YIIMSBPIZSKDET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01204098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.721

Distribution Coefficient, logD

7.721

Water Solubility, LogSw

-6.64

Polar Surface Area

24.712

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8012-4166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4166?
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What is the minimum amount of 8012-4166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4166
  • 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 8012-4166 available by request