6161-0057 Screening compound: 3-(2,3-dimethoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

6161-0057 Screening compound: 3-(2,3-dimethoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
6161-0057 Screening compound: 3-(2,3-dimethoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6161-0057
3-(2,3-dimethoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

6161-0057

Molecular Formula

C16H15N3O2S (C16 H15 N3 O2 S)

Compound Name

3-(2,3-dimethoxyphenyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(23-dimethoxyphenyl)-4-phenyl-45-dihydro-1H-124-triazole-5-thione

SMILES

COc1cccc(C(N2c3ccccc3)=NNC2=S)c1OC

InChI

InChI=1S/C16H15N3O2S/c1-20-13-10-6-9-12(14(13)21-2)15-17-18-16(22)19(15)11-7-4-3-5-8-11/h3-10H,1-2H3,(H,18,22)

InChI Key

CTSQLPMHEVQNQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.67

Polar Surface Area

42.321

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6161-0057 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6161-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6161-0057?
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What is the minimum amount of 6161-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6161-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6161-0057
  • 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 6161-0057 available by request