8006-5812 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-1-phenyl-1H-1,2,3,4-tetrazole

8006-5812 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-1-phenyl-1H-1,2,3,4-tetrazole
8006-5812 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-1-phenyl-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5812
5-{[(4-chlorophenyl)methyl]sulfanyl}-1-phenyl-1H-1,2,3,4-tetrazole

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

8006-5812

Molecular Formula

C14H11ClN4S (C14 H11 ClN4 S)

Compound Name

5-{[(4-chlorophenyl)methyl]sulfanyl}-1-phenyl-1H-1,2,3,4-tetrazole

IUPAC name

5-{[(4-chlorophenyl)methyl]sulfanyl}-1-phenyl-1H-1234-tetrazole

SMILES

Clc1ccc(CSc2nnnn2-c2ccccc2)cc1

InChI

InChI=1S/C14H11ClN4S/c15-12-8-6-11(7-9-12)10-20-14-16-17-18-19(14)13-4-2-1-3-5-13/h1-9H,10H2

InChI Key

WSKQXCMJGIHFBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.693

Water Solubility, LogSw

-4.19

Polar Surface Area

39.889

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8006-5812 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 8006-5812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5812?
Check Price and Availability of 8006-5812, 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 8006-5812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5812
  • 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 8006-5812 available by request