D064-0172 Screening compound: 6-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0172 Screening compound: 6-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0172 Screening compound: 6-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0172
6-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[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

D064-0172

Molecular Formula

C18H15ClN4O3S (C18 H15 ClN4 O3 S)

Compound Name

6-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-(3-chlorophenyl)-3-(345-trimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc1cc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)cc(OC)c1OC

InChI

InChI=1S/C18H15ClN4O3S/c1-24-13-8-11(9-14(25-2)15(13)26-3)16-20-21-18-23(16)22-17(27-18)10-5-4-6-12(19)7-10/h4-9H,1-3H3

InChI Key

PJPLBYWUBBJAKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04026269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.38

Polar Surface Area

56.699

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D064-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0172?
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What is the minimum amount of D064-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0172
  • 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 D064-0172 available by request