6516-0014 Screening compound: 3-(4-bromophenyl)-4-[(furan-2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

6516-0014 Screening compound: 3-(4-bromophenyl)-4-[(furan-2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione
6516-0014 Screening compound: 3-(4-bromophenyl)-4-[(furan-2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6516-0014
3-(4-bromophenyl)-4-[(furan-2-yl)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

6516-0014

Molecular Formula

C13H10BrN3OS (C13 H10 BrN3 OS)

Compound Name

3-(4-bromophenyl)-4-[(furan-2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(4-bromophenyl)-4-[(furan-2-yl)methyl]-45-dihydro-1H-124-triazole-5-thione

SMILES

S=C1N(Cc2ccco2)C(c(cc2)ccc2Br)=NN1

InChI

InChI=1S/C13H10BrN3OS/c14-10-5-3-9(4-6-10)12-15-16-13(19)17(12)8-11-2-1-7-18-11/h1-7H,8H2,(H,16,19)

InChI Key

XTADONHSYKULFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

3.885

Water Solubility, LogSw

-4.35

Polar Surface Area

35.334

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6516-0014 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6516-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6516-0014?
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What is the minimum amount of 6516-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6516-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6516-0014
  • 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 6516-0014 available by request