8020-5622 Screening compound: 3-(2-chloro-5-fluorophenyl)-6-(1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8020-5622 Screening compound: 3-(2-chloro-5-fluorophenyl)-6-(1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8020-5622 Screening compound: 3-(2-chloro-5-fluorophenyl)-6-(1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5622
3-(2-chloro-5-fluorophenyl)-6-(1H-pyrazol-3-yl)[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

8020-5622

Molecular Formula

C12H6ClFN6S (C12 H6 ClFN6 S)

Compound Name

3-(2-chloro-5-fluorophenyl)-6-(1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

n/a

SMILES

Fc(cc1)cc(-c2nnc3sc(-c4n[nH]cc4)nn23)c1Cl

InChI

InChI=1S/C12H6ClFN6S/c13-8-2-1-6(14)5-7(8)10-17-18-12-20(10)19-11(21-12)9-3-4-15-16-9/h1-5H,(H,15,16)

InChI Key

ILQXCULGDFDJRF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.648

Distribution Coefficient, logD

2.648

Water Solubility, LogSw

-3.92

Polar Surface Area

57.323

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8020-5622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5622?
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What is the minimum amount of 8020-5622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5622
  • 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 8020-5622 available by request