8011-6839 Screening compound: 4-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}butanenitrile

8011-6839 Screening compound: 4-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}butanenitrile
8011-6839 Screening compound: 4-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}butanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6839
4-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}butanenitrile

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

8011-6839

Molecular Formula

C11H10ClN5S (C11 H10 ClN5 S)

Compound Name

4-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}butanenitrile

IUPAC name

4-{[1-(3-chlorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}butanenitrile

SMILES

N#CCCCSc1nnnn1-c1cccc(Cl)c1

InChI

InChI=1S/C11H10ClN5S/c12-9-4-3-5-10(8-9)17-11(14-15-16-17)18-7-2-1-6-13/h3-5,8H,1-2,7H2

InChI Key

ZILUYGXUDZKKQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02316743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.120

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.59

Polar Surface Area

57.652

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8011-6839 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 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 8011-6839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6839?
Check Price and Availability of 8011-6839, 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 8011-6839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6839
  • 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 8011-6839 available by request