8014-3501 Screening compound: 3-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

8014-3501 Screening compound: 3-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
8014-3501 Screening compound: 3-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3501
3-methyl-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

8014-3501

Molecular Formula

C9H9N3S (C9 H9 N3 S)

Compound Name

3-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-methyl-4-phenyl-45-dihydro-1H-124-triazole-5-thione

SMILES

CC(N1c2ccccc2)=NNC1=S

InChI

InChI=1S/C9H9N3S/c1-7-10-11-9(13)12(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)

InChI Key

VITIJXJNRKRDKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03129564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.949

Distribution Coefficient, logD

1.211

Water Solubility, LogSw

-1.89

Polar Surface Area

26.009

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8014-3501 in Drug Discovery

Included in Screening Libraries

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

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 8014-3501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3501?
Check Price and Availability of 8014-3501, 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 8014-3501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3501
  • 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 8014-3501 available by request