D221-0028 Screening compound: 6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D221-0028 Screening compound: 6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D221-0028 Screening compound: 6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D221-0028
6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

D221-0028

Molecular Formula

C9H5ClN4S (C9 H5 ClN4 S)

Compound Name

6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

n/a

SMILES

Clc(cccc1)c1-c(s1)nn2c1nnc2

InChI

InChI=1S/C9H5ClN4S/c10-7-4-2-1-3-6(7)8-13-14-5-11-12-9(14)15-8/h1-5H

InChI Key

JBSXKIFTIBETPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07188263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.68

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.038

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-3.00

Polar Surface Area

34.644

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D221-0028 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D221-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D221-0028?
Check Price and Availability of D221-0028, 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 D221-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D221-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D221-0028
  • 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 D221-0028 available by request