D064-0326 Screening compound: 1-{[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,3-benzodiazole

D064-0326 Screening compound: 1-{[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,3-benzodiazole
D064-0326 Screening compound: 1-{[6-(4-methylphenyl)-[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 D064-0326
1-{[6-(4-methylphenyl)-[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

D064-0326

Molecular Formula

C18H14N6S (C18 H14 N6 S)

Compound Name

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

IUPAC name

1-{[6-(4-methylphenyl)-[124]triazolo[34-b][134]thiadiazol-3-yl]methyl}-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1-c(s1)nn2c1nnc2Cn1c(cccc2)c2nc1

InChI

InChI=1S/C18H14N6S/c1-12-6-8-13(9-7-12)17-22-24-16(20-21-18(24)25-17)10-23-11-19-14-4-2-3-5-15(14)23/h2-9,11H,10H2,1H3

InChI Key

KGMZHDLNBVOKSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07187886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.850

Distribution Coefficient, logD

1.733

Water Solubility, LogSw

-2.90

Polar Surface Area

45.154

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D064-0326 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with D064-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0326?
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What is the minimum amount of D064-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0326
  • 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 D064-0326 available by request