D064-0048 Screening compound: 6-(1-benzofuran-2-yl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0048 Screening compound: 6-(1-benzofuran-2-yl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0048 Screening compound: 6-(1-benzofuran-2-yl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0048
6-(1-benzofuran-2-yl)-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

D064-0048

Molecular Formula

C18H12N4OS (C18 H12 N4 OS)

Compound Name

6-(1-benzofuran-2-yl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-(1-benzofuran-2-yl)-3-(4-methylphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Cc(cc1)ccc1-c1nnc2sc(-c3cc(cccc4)c4o3)nn12

InChI

InChI=1S/C18H12N4OS/c1-11-6-8-12(9-7-11)16-19-20-18-22(16)21-17(24-18)15-10-13-4-2-3-5-14(13)23-15/h2-10H,1H3

InChI Key

AFLBKMPJNKRBIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590497

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

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.931

Distribution Coefficient, logD

4.931

Water Solubility, LogSw

-5.30

Polar Surface Area

42.014

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D064-0048 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D064-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0048?
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What is the minimum amount of D064-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0048
  • 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 D064-0048 available by request