K822-0323 Screening compound: N-(3-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

K822-0323 Screening compound: N-(3-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
K822-0323 Screening compound: N-(3-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0323
N-(3-nitrophenyl)-2-{[4-phenyl-5-(pyridin-4-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

K822-0323

Molecular Formula

C21H16N6O3S (C21 H16 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(NC(CSc2nnc(-c3ccncc3)n2-c2ccccc2)=O)c1)=O

InChI

InChI=1S/C21H16N6O3S/c28-19(23-16-5-4-8-18(13-16)27(29)30)14-31-21-25-24-20(15-9-11-22-12-10-15)26(21)17-6-2-1-3-7-17/h1-13H,14H2,(H,23,28)

InChI Key

ANXWCLKPEQELPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01671135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.79

Polar Surface Area

90.672

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K822-0323 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K822-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0323?
Check Price and Availability of K822-0323, 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 K822-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0323
  • 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 K822-0323 available by request