4670-0342 Screening compound: 5-methyl-5-(3-methylbutyl)-2-phenyl-1,2,4-triazolidine-3-thione

4670-0342 Screening compound: 5-methyl-5-(3-methylbutyl)-2-phenyl-1,2,4-triazolidine-3-thione
4670-0342 Screening compound: 5-methyl-5-(3-methylbutyl)-2-phenyl-1,2,4-triazolidine-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4670-0342
5-methyl-5-(3-methylbutyl)-2-phenyl-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

4670-0342

Molecular Formula

C14H21N3S (C14 H21 N3 S)

Compound Name

5-methyl-5-(3-methylbutyl)-2-phenyl-1,2,4-triazolidine-3-thione

IUPAC name

5-methyl-5-(3-methylbutyl)-2-phenyl-124-triazolidine-3-thione

SMILES

CC(C)CCC(C)(NC1=S)NN1c1ccccc1

InChI

InChI=1S/C14H21N3S/c1-11(2)9-10-14(3)15-13(18)17(16-14)12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,18)/t14-/m0/s1

InChI Key

GWVPEOQKJPRWLN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01618476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.41

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

3.888

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-4.01

Polar Surface Area

27.591

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4670-0342 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4670-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4670-0342?
Check Price and Availability of 4670-0342, 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 4670-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4670-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4670-0342
  • 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 4670-0342 available by request