K822-0355 Screening compound: 4-benzyl-3-(quinolin-2-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

K822-0355 Screening compound: 4-benzyl-3-(quinolin-2-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
K822-0355 Screening compound: 4-benzyl-3-(quinolin-2-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0355
4-benzyl-3-(quinolin-2-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

K822-0355

Molecular Formula

C18H14N4S (C18 H14 N4 S)

Compound Name

4-benzyl-3-(quinolin-2-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

4-benzyl-3-(quinolin-2-yl)-45-dihydro-1H-124-triazole-5-thione

SMILES

S=C1N(Cc2ccccc2)C(c2nc3ccccc3cc2)=NN1

InChI

InChI=1S/C18H14N4S/c23-18-21-20-17(22(18)12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)19-16/h1-11H,12H2,(H,21,23)

InChI Key

WKKGAWDDMRVQJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04079764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-4.87

Polar Surface Area

35.916

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

K822-0355 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K822-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0355?
Check Price and Availability of K822-0355, 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 K822-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0355
  • 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 K822-0355 available by request