G856-6561 Screening compound: 1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one

G856-6561 Screening compound: 1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
G856-6561 Screening compound: 1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6561
1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one

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

G856-6561

Molecular Formula

C20H17N5OS2 (C20 H17 N5 OS2)

Compound Name

1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(1234-tetrahydroquinolin-1-yl)-2-{[6-(thiophen-2-yl)-[124]triazolo[43-b]pyridazin-3-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nnc(cc2)n1nc2-c1cccs1)N(CCC1)c2c1cccc2

InChI

InChI=1S/C20H17N5OS2/c26-19(24-11-3-6-14-5-1-2-7-16(14)24)13-28-20-22-21-18-10-9-15(23-25(18)20)17-8-4-12-27-17/h1-2,4-5,7-10,12H,3,6,11,13H2

InChI Key

BTZMBSLRLCWQDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06711377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-3.91

Polar Surface Area

48.783

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

-6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G856-6561 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G856-6561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6561?
Check Price and Availability of G856-6561, 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 G856-6561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6561
  • 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 G856-6561 available by request