8013-6924 Screening compound: 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-phenylacetamide

8013-6924 Screening compound: 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-phenylacetamide
8013-6924 Screening compound: 2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6924
2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-phenylacetamide

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

8013-6924

Molecular Formula

C24H22N4O2S (C24 H22 N4 O2 S)

Compound Name

2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-phenylacetamide

IUPAC name

2-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-phenylacetamide

SMILES

Cc(cccc1)c1-n1c(SCC(Nc2ccccc2)=O)nnc1-c(cc1)ccc1OC

InChI

InChI=1S/C24H22N4O2S/c1-17-8-6-7-11-21(17)28-23(18-12-14-20(30-2)15-13-18)26-27-24(28)31-16-22(29)25-19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,25,29)

InChI Key

LLLGRBADNMOTAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03460394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-4.55

Polar Surface Area

55.105

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8013-6924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6924?
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What is the minimum amount of 8013-6924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6924
  • 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 8013-6924 available by request