8011-1986 Screening compound: 5-methyl-2-(4-methylphenyl)-5-(2-thienyl)-1,2,4-triazolane-3-thione

8011-1986 Screening compound: 5-methyl-2-(4-methylphenyl)-5-(2-thienyl)-1,2,4-triazolane-3-thione
8011-1986 Screening compound: 5-methyl-2-(4-methylphenyl)-5-(2-thienyl)-1,2,4-triazolane-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1986
5-methyl-2-(4-methylphenyl)-5-(2-thienyl)-1,2,4-triazolane-3-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

8011-1986

Molecular Formula

C14H15N3S2 (C14 H15 N3 S2)

Compound Name

5-methyl-2-(4-methylphenyl)-5-(2-thienyl)-1,2,4-triazolane-3-thione

IUPAC name

5-methyl-2-(4-methylphenyl)-5-(thiophen-2-yl)-124-triazolidine-3-thione

SMILES

CC(c1cccs1)(NC1=S)NN1c1ccc(C)cc1

InChI

InChI=1S/C14H15N3S2/c1-10-5-7-11(8-6-10)17-13(18)15-14(2,16-17)12-4-3-9-19-12/h3-9,16H,1-2H3,(H,15,18)/t14-/m0/s1

InChI Key

WEBCOONFHWQNNS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02039764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

3.990

Water Solubility, LogSw

-4.05

Polar Surface Area

28.126

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

8011-1986 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS targets activity set (6557 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-1986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1986?
Check Price and Availability of 8011-1986, 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 8011-1986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1986
  • 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 8011-1986 available by request