8014-3293 Screening compound: 2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

8014-3293 Screening compound: 2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide
8014-3293 Screening compound: 2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3293
2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

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

8014-3293

Molecular Formula

C26H23F3N4OS2 (C26 H23 F3 N4 OS2)

Compound Name

2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-124-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

Cc(cc1)ccc1SCc(n1-c2cc(C)ccc2)nnc1SCC(Nc1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C26H23F3N4OS2/c1-17-9-11-22(12-10-17)35-15-23-31-32-25(33(23)21-8-3-5-18(2)13-21)36-16-24(34)30-20-7-4-6-19(14-20)26(27,28)29/h3-14H,15-16H2,1-2H3,(H,30,34)

InChI Key

VRLWKTFCRLKQAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03129709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.801

Distribution Coefficient, logD

6.801

Water Solubility, LogSw

-5.68

Polar Surface Area

48.838

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.23

References: we are preparing a list of scientific research reports with 8014-3293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3293?
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What is the minimum amount of 8014-3293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3293
  • 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 8014-3293 available by request