K822-0236 Screening compound: 4-[(furan-2-yl)methyl]-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

K822-0236 Screening compound: 4-[(furan-2-yl)methyl]-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
K822-0236 Screening compound: 4-[(furan-2-yl)methyl]-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0236
4-[(furan-2-yl)methyl]-3-(pyridin-4-yl)-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

K822-0236

Molecular Formula

C12H10N4OS (C12 H10 N4 OS)

Compound Name

4-[(furan-2-yl)methyl]-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

4-[(furan-2-yl)methyl]-3-(pyridin-4-yl)-45-dihydro-1H-124-triazole-5-thione

SMILES

S=C1N(Cc2ccco2)C(c2ccncc2)=NN1

InChI

InChI=1S/C12H10N4OS/c18-12-15-14-11(9-3-5-13-6-4-9)16(12)8-10-2-1-7-17-10/h1-7H,8H2,(H,15,18)

InChI Key

PRWBCAUIHYTNSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03721408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.019

Distribution Coefficient, logD

1.806

Water Solubility, LogSw

-2.12

Polar Surface Area

44.762

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

K822-0236 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K822-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0236?
Check Price and Availability of K822-0236, 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 K822-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0236
  • 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 K822-0236 available by request