5568-0370 Screening compound: 5-butyl-2-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazolidine-3-thione

5568-0370 Screening compound: 5-butyl-2-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazolidine-3-thione
5568-0370 Screening compound: 5-butyl-2-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazolidine-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5568-0370
5-butyl-2-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazolidine-3-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

5568-0370

Molecular Formula

C15H23N3S (C15 H23 N3 S)

Compound Name

5-butyl-2-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazolidine-3-thione

IUPAC name

5-butyl-2-(34-dimethylphenyl)-5-methyl-124-triazolidine-3-thione

SMILES

CCCCC(C)(NC1=S)NN1c1cc(C)c(C)cc1

InChI

InChI=1S/C15H23N3S/c1-5-6-9-15(4)16-14(19)18(17-15)13-8-7-11(2)12(3)10-13/h7-8,10,17H,5-6,9H2,1-4H3,(H,16,19)/t15-/m0/s1

InChI Key

MSKKINCYGJCRQA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02984202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.897

Water Solubility, LogSw

-4.54

Polar Surface Area

27.591

Acid Dissociation Constant (pKa)

17.27

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

5568-0370 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5568-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5568-0370?
Check Price and Availability of 5568-0370, 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 5568-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5568-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5568-0370
  • 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 5568-0370 available by request