K822-0422 Screening compound: 4-(4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine

K822-0422 Screening compound: 4-(4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine
K822-0422 Screening compound: 4-(4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0422
4-(4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-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

K822-0422

Molecular Formula

C21H17BrN4S (C21 H17 BrN4 S)

Compound Name

4-(4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine

IUPAC name

4-(4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-4H-124-triazol-3-yl)pyridine

SMILES

Brc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1

InChI

InChI=1S/C21H17BrN4S/c22-19-8-6-17(7-9-19)15-27-21-25-24-20(18-10-12-23-13-11-18)26(21)14-16-4-2-1-3-5-16/h1-13H,14-15H2

InChI Key

KKISOWQVDFQKKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.901

Water Solubility, LogSw

-4.73

Polar Surface Area

33.397

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K822-0422 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K822-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0422?
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What is the minimum amount of K822-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0422
  • 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 K822-0422 available by request