8020-6422 Screening compound: 3-(2-chlorobenzyl)-6-(3-isopropyl-1-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8020-6422 Screening compound: 3-(2-chlorobenzyl)-6-(3-isopropyl-1-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8020-6422 Screening compound: 3-(2-chlorobenzyl)-6-(3-isopropyl-1-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6422
3-(2-chlorobenzyl)-6-(3-isopropyl-1-methyl-1H-pyrazol-5-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

8020-6422

Molecular Formula

C17H17ClN6S (C17 H17 ClN6 S)

Compound Name

3-(2-chlorobenzyl)-6-(3-isopropyl-1-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

5-{3-[(2-chlorophenyl)methyl]-[124]triazolo[34-b][134]thiadiazol-6-yl}-1-methyl-3-(propan-2-yl)-1H-pyrazole

SMILES

CC(C)c1nn(C)c(-c(s2)nn3c2nnc3Cc(cccc2)c2Cl)c1

InChI

InChI=1S/C17H17ClN6S/c1-10(2)13-9-14(23(3)21-13)16-22-24-15(19-20-17(24)25-16)8-11-6-4-5-7-12(11)18/h4-7,9-10H,8H2,1-3H3

InChI Key

WXQFVWREBQXYPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19711523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-3.77

Polar Surface Area

48.214

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with 8020-6422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6422?
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What is the minimum amount of 8020-6422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6422
  • 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 8020-6422 available by request