8011-4669 Screening compound: 2-(4-chlorophenyl)-5-methyl-5-pentyl-1,2,4-triazolidine-3-thione

8011-4669 Screening compound: 2-(4-chlorophenyl)-5-methyl-5-pentyl-1,2,4-triazolidine-3-thione
8011-4669 Screening compound: 2-(4-chlorophenyl)-5-methyl-5-pentyl-1,2,4-triazolidine-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4669
2-(4-chlorophenyl)-5-methyl-5-pentyl-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

8011-4669

Molecular Formula

C14H20ClN3S (C14 H20 ClN3 S)

Compound Name

2-(4-chlorophenyl)-5-methyl-5-pentyl-1,2,4-triazolidine-3-thione

IUPAC name

2-(4-chlorophenyl)-5-methyl-5-pentyl-124-triazolidine-3-thione

SMILES

CCCCCC(C)(NC1=S)NN1c(cc1)ccc1Cl

InChI

InChI=1S/C14H20ClN3S/c1-3-4-5-10-14(2)16-13(19)18(17-14)12-8-6-11(15)7-9-12/h6-9,17H,3-5,10H2,1-2H3,(H,16,19)/t14-/m0/s1

InChI Key

ISRBXXCUXQFMDW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02334777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.878

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-4.83

Polar Surface Area

27.591

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8011-4669 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-4669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4669?
Check Price and Availability of 8011-4669, 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 8011-4669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4669
  • 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 8011-4669 available by request