K822-0091 Screening compound: 3-(ethylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole

K822-0091 Screening compound: 3-(ethylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
K822-0091 Screening compound: 3-(ethylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0091
3-(ethylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole

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

K822-0091

Molecular Formula

C11H12N4O2S (C11 H12 N4 O2 S)

Compound Name

3-(ethylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole

IUPAC name

3-(ethylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-124-triazole

SMILES

CCSc1nnc(-c2cc([N+]([O-])=O)ccc2)n1C

InChI

InChI=1S/C11H12N4O2S/c1-3-18-11-13-12-10(14(11)2)8-5-4-6-9(7-8)15(16)17/h4-7H,3H2,1-2H3

InChI Key

IZLZGQWNCUCPKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

2.677

Water Solubility, LogSw

-2.81

Polar Surface Area

58.704

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K822-0091 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K822-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0091?
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What is the minimum amount of K822-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0091
  • 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 K822-0091 available by request