D064-0346 Screening compound: 1-{[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,3-benzodiazole

D064-0346 Screening compound: 1-{[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,3-benzodiazole
D064-0346 Screening compound: 1-{[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0346
1-{[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,3-benzodiazole

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

D064-0346

Molecular Formula

C19H16N6S (C19 H16 N6 S)

Compound Name

1-{[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,3-benzodiazole

IUPAC name

1-{[6-(2-phenylethyl)-[124]triazolo[34-b][134]thiadiazol-3-yl]methyl}-1H-13-benzodiazole

SMILES

C(Cc1ccccc1)c(s1)nn2c1nnc2Cn1c(cccc2)c2nc1

InChI

InChI=1S/C19H16N6S/c1-2-6-14(7-3-1)10-11-18-23-25-17(21-22-19(25)26-18)12-24-13-20-15-8-4-5-9-16(15)24/h1-9,13H,10-12H2

InChI Key

ZQMDFWSCQPSOHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.877

Distribution Coefficient, logD

1.760

Water Solubility, LogSw

-3.01

Polar Surface Area

45.649

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D064-0346 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D064-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0346?
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What is the minimum amount of D064-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0346
  • 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 D064-0346 available by request