D727-0547 Screening compound: 4-[3-(pyridin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(thiophen-2-yl)quinoline

D727-0547 Screening compound: 4-[3-(pyridin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(thiophen-2-yl)quinoline
D727-0547 Screening compound: 4-[3-(pyridin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(thiophen-2-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0547
4-[3-(pyridin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(thiophen-2-yl)quinoline

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

D727-0547

Molecular Formula

C21H12N6S2 (C21 H12 N6 S2)

Compound Name

4-[3-(pyridin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(thiophen-2-yl)quinoline

IUPAC name

4-[3-(pyridin-2-yl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-2-(thiophen-2-yl)quinoline

SMILES

c1csc(-c2nc3ccccc3c(-c(s3)nn4c3nnc4-c3ncccc3)c2)c1

InChI

InChI=1S/C21H12N6S2/c1-2-7-15-13(6-1)14(12-17(23-15)18-9-5-11-28-18)20-26-27-19(24-25-21(27)29-20)16-8-3-4-10-22-16/h1-12H

InChI Key

XTVLSAFHPNXLJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09184807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.5

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

4.589

Distribution Coefficient, logD

4.585

Water Solubility, LogSw

-4.65

Polar Surface Area

51.847

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D727-0547 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D727-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0547?
Check Price and Availability of D727-0547, 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 D727-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0547
  • 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 D727-0547 available by request