8016-6679 Screening compound: 2-(2,4-dichlorobenzyl)-5-(2-thienyl)-2H-1,2,3,4-tetraazole

8016-6679 Screening compound: 2-(2,4-dichlorobenzyl)-5-(2-thienyl)-2H-1,2,3,4-tetraazole
8016-6679 Screening compound: 2-(2,4-dichlorobenzyl)-5-(2-thienyl)-2H-1,2,3,4-tetraazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6679
2-(2,4-dichlorobenzyl)-5-(2-thienyl)-2H-1,2,3,4-tetraazole

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

8016-6679

Molecular Formula

C12H8Cl2N4S (C12 H8 Cl2 N4 S)

Compound Name

2-(2,4-dichlorobenzyl)-5-(2-thienyl)-2H-1,2,3,4-tetraazole

IUPAC name

2-[(24-dichlorophenyl)methyl]-5-(thiophen-2-yl)-2H-1234-tetrazole

SMILES

Clc1cc(Cl)c(Cn2nnc(-c3cccs3)n2)cc1

InChI

InChI=1S/C12H8Cl2N4S/c13-9-4-3-8(10(14)6-9)7-18-16-12(15-17-18)11-2-1-5-19-11/h1-6H,7H2

InChI Key

VDDSJDFXNVRDHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.38

Polar Surface Area

39.360

Acid Dissociation Constant (pKa)

26.83

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

8016-6679 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-6679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6679?
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What is the minimum amount of 8016-6679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6679
  • 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 8016-6679 available by request