D064-0451 Screening compound: 6-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0451 Screening compound: 6-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0451 Screening compound: 6-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0451
6-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-[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

D064-0451

Molecular Formula

C18H16N4OS (C18 H16 N4 OS)

Compound Name

6-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Cc(cc1)ccc1-c1nnc2sc(Cc(cc3)ccc3OC)nn12

InChI

InChI=1S/C18H16N4OS/c1-12-3-7-14(8-4-12)17-19-20-18-22(17)21-16(24-18)11-13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3

InChI Key

XKUBEMPWAMAVLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03866566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-4.19

Polar Surface Area

41.761

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D064-0451 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D064-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0451?
Check Price and Availability of D064-0451, 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 D064-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0451
  • 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 D064-0451 available by request