8007-8460 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

8007-8460 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
8007-8460 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8460
N-(2,3-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}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

8007-8460

Molecular Formula

C25H24N4O2S (C25 H24 N4 O2 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc1cccc(NC(CSc2nnc(-c(cc3)ccc3OC)n2-c2ccccc2)=O)c1C

InChI

InChI=1S/C25H24N4O2S/c1-17-8-7-11-22(18(17)2)26-23(30)16-32-25-28-27-24(19-12-14-21(31-3)15-13-19)29(25)20-9-5-4-6-10-20/h4-15H,16H2,1-3H3,(H,26,30)

InChI Key

WKFAPQBFJWMKLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01204574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.56

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

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-5.19

Polar Surface Area

54.708

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8007-8460 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8007-8460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8460?
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What is the minimum amount of 8007-8460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8460
  • 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 8007-8460 available by request