K822-0112 Screening compound: 3-[5-(benzylsulfanyl)-4-(4-chloro-3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine

K822-0112 Screening compound: 3-[5-(benzylsulfanyl)-4-(4-chloro-3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
K822-0112 Screening compound: 3-[5-(benzylsulfanyl)-4-(4-chloro-3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0112
3-[5-(benzylsulfanyl)-4-(4-chloro-3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine

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

K822-0112

Molecular Formula

C21H17ClN4S (C21 H17 ClN4 S)

Compound Name

3-[5-(benzylsulfanyl)-4-(4-chloro-3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

3-[5-(benzylsulfanyl)-4-(4-chloro-3-methylphenyl)-4H-124-triazol-3-yl]pyridine

SMILES

Cc(cc(cc1)-n2c(SCc3ccccc3)nnc2-c2cnccc2)c1Cl

InChI

InChI=1S/C21H17ClN4S/c1-15-12-18(9-10-19(15)22)26-20(17-8-5-11-23-13-17)24-25-21(26)27-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3

InChI Key

SKQPPPMTUAEPMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.976

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-5.30

Polar Surface Area

34.230

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with K822-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0112?
Check Price and Availability of K822-0112, 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 K822-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0112
  • 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 K822-0112 available by request