K822-0234 Screening compound: N-(2,6-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

K822-0234 Screening compound: N-(2,6-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
K822-0234 Screening compound: N-(2,6-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0234
N-(2,6-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

K822-0234

Molecular Formula

C18H19N5OS (C18 H19 N5 OS)

Compound Name

N-(2,6-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(26-dimethylphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc1cccc(C)c1NC(CSc1nnc(-c2cnccc2)n1C)=O

InChI

InChI=1S/C18H19N5OS/c1-12-6-4-7-13(2)16(12)20-15(24)11-25-18-22-21-17(23(18)3)14-8-5-9-19-10-14/h4-10H,11H2,1-3H3,(H,20,24)

InChI Key

BXGUXLMSUJMGQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02226872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-1.78

Polar Surface Area

56.322

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K822-0234 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K822-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0234?
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What is the minimum amount of K822-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0234
  • 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 K822-0234 available by request