5865-4146 Screening compound: 3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

5865-4146 Screening compound: 3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
5865-4146 Screening compound: 3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5865-4146
3-(4-bromophenyl)-4-methyl-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

5865-4146

Molecular Formula

C9H8BrN3S (C9 H8 BrN3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(c(cc1)ccc1Br)=NN1)C1=S

InChI

InChI=1S/C9H8BrN3S/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14)

InChI Key

FHXAECCDIGEICD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03995808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.009

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-3.15

Polar Surface Area

27.622

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5865-4146 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 5865-4146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5865-4146?
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What is the minimum amount of 5865-4146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5865-4146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5865-4146
  • 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 5865-4146 available by request