8014-0343 Screening compound: 2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-mesitylacetamide

8014-0343 Screening compound: 2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-mesitylacetamide
8014-0343 Screening compound: 2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-mesitylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0343
2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-mesitylacetamide

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

8014-0343

Molecular Formula

C27H28N4OS (C27 H28 N4 OS)

Compound Name

2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-mesitylacetamide

IUPAC name

2-{[4-(25-dimethylphenyl)-5-phenyl-4H-124-triazol-3-yl]sulfanyl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc1cc(-n2c(SCC(Nc3c(C)cc(C)cc3C)=O)nnc2-c2ccccc2)c(C)cc1

InChI

InChI=1S/C27H28N4OS/c1-17-11-12-19(3)23(15-17)31-26(22-9-7-6-8-10-22)29-30-27(31)33-16-24(32)28-25-20(4)13-18(2)14-21(25)5/h6-15H,16H2,1-5H3,(H,28,32)

InChI Key

SPRBZHVSEGUOKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03460977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.129

Distribution Coefficient, logD

6.129

Water Solubility, LogSw

-5.47

Polar Surface Area

46.165

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8014-0343 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8014-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0343?
Check Price and Availability of 8014-0343, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0343
  • 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 8014-0343 available by request