K822-0020 Screening compound: 4-(4-bromophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

K822-0020 Screening compound: 4-(4-bromophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
K822-0020 Screening compound: 4-(4-bromophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0020
4-(4-bromophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

K822-0020

Molecular Formula

C14H9BrN4O2S (C14 H9 BrN4 O2 S)

Compound Name

4-(4-bromophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

4-(4-bromophenyl)-3-(3-nitrophenyl)-45-dihydro-1H-124-triazole-5-thione

SMILES

[O-][N+](c1cccc(C(N2c(cc3)ccc3Br)=NNC2=S)c1)=O

InChI

InChI=1S/C14H9BrN4O2S/c15-10-4-6-11(7-5-10)18-13(16-17-14(18)22)9-2-1-3-12(8-9)19(20)21/h1-8H,(H,17,22)

InChI Key

QFCJBUCOMWUKLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-4.53

Polar Surface Area

60.355

Acid Dissociation Constant (pKa)

6.01

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K822-0020 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K822-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0020?
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What is the minimum amount of K822-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0020
  • 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 K822-0020 available by request