D064-0316 Screening compound: 1-({6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole

D064-0316 Screening compound: 1-({6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole
D064-0316 Screening compound: 1-({6-phenyl-[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 D064-0316
1-({6-phenyl-[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

D064-0316

Molecular Formula

C17H12N6S (C17 H12 N6 S)

Compound Name

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

IUPAC name

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

SMILES

C(c1nnc2sc(-c3ccccc3)nn12)n1c(cccc2)c2nc1

InChI

InChI=1S/C17H12N6S/c1-2-6-12(7-3-1)16-21-23-15(19-20-17(23)24-16)10-22-11-18-13-8-4-5-9-14(13)22/h1-9,11H,10H2

InChI Key

MHNHDRQWOWBPAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.39

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

2.321

Distribution Coefficient, logD

1.205

Water Solubility, LogSw

-2.23

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

5.90

D064-0316 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D064-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0316?
Check Price and Availability of D064-0316, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D064-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0316
  • 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 D064-0316 available by request