D064-0366 Screening compound: 1-{[6-(pyridin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,3-benzodiazole

D064-0366 Screening compound: 1-{[6-(pyridin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,3-benzodiazole
D064-0366 Screening compound: 1-{[6-(pyridin-2-yl)-[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 D064-0366
1-{[6-(pyridin-2-yl)-[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

D064-0366

Molecular Formula

C16H11N7S (C16 H11 N7 S)

Compound Name

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

IUPAC name

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

SMILES

C(c1nnc2sc(-c3ncccc3)nn12)n1c(cccc2)c2nc1

InChI

InChI=1S/C16H11N7S/c1-2-7-13-11(5-1)18-10-22(13)9-14-19-20-16-23(14)21-15(24-16)12-6-3-4-8-17-12/h1-8,10H,9H2

InChI Key

VNOCQDVUEVAFDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

0.267

Water Solubility, LogSw

-1.57

Polar Surface Area

54.202

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D064-0366 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with D064-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0366?
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What is the minimum amount of D064-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0366
  • 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 D064-0366 available by request