8019-8986 Screening compound: 5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol

8019-8986 Screening compound: 5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol
8019-8986 Screening compound: 5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8986
5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol

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

8019-8986

Molecular Formula

C11H12ClN3S2 (C11 H12 ClN3 S2)

Compound Name

5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol

IUPAC name

5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-124-triazole-3-thiol

SMILES

Cn1c(S)nnc1CSCc(cccc1)c1Cl

InChI

InChI=1S/C11H12ClN3S2/c1-15-10(13-14-11(15)16)7-17-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,14,16)

InChI Key

FBNAYHILWLLBAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03175169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.689

Distribution Coefficient, logD

2.264

Water Solubility, LogSw

-3.30

Polar Surface Area

24.772

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8019-8986 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8019-8986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8986?
Check Price and Availability of 8019-8986, 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 8019-8986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8986
  • 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 8019-8986 available by request