K822-0367 Screening compound: 2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

K822-0367 Screening compound: 2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
K822-0367 Screening compound: 2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0367
2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)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

K822-0367

Molecular Formula

C22H18FN5OS (C22 H18 FN5 OS)

Compound Name

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

IUPAC name

2-{[4-benzyl-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

SMILES

O=C(CSc1nnc(-c2cnccc2)n1Cc1ccccc1)Nc(cc1)ccc1F

InChI

InChI=1S/C22H18FN5OS/c23-18-8-10-19(11-9-18)25-20(29)15-30-22-27-26-21(17-7-4-12-24-13-17)28(22)14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,25,29)

InChI Key

KGKIVMCUBOBICZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02596639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.49

Polar Surface Area

56.636

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K822-0367 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 K822-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0367?
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What is the minimum amount of K822-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0367
  • 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 K822-0367 available by request