D731-0628 Screening compound: 4-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylquinoline

D731-0628 Screening compound: 4-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylquinoline
D731-0628 Screening compound: 4-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0628
4-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylquinoline

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

D731-0628

Molecular Formula

C22H13N5OS (C22 H13 N5 OS)

Compound Name

4-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylquinoline

IUPAC name

4-[3-(furan-2-yl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-2-phenylquinoline

SMILES

c1coc(-c2nnc3sc(-c4cc(-c5ccccc5)nc5ccccc45)nn23)c1

InChI

InChI=1S/C22H13N5OS/c1-2-7-14(8-3-1)18-13-16(15-9-4-5-10-17(15)23-18)21-26-27-20(19-11-6-12-28-19)24-25-22(27)29-21/h1-13H

InChI Key

FYLGVESHFVBZFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05155493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.034

Distribution Coefficient, logD

5.031

Water Solubility, LogSw

-5.21

Polar Surface Area

50.359

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D731-0628 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D731-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0628?
Check Price and Availability of D731-0628, 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 D731-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0628
  • 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 D731-0628 available by request