G954-0191 Screening compound: 2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

G954-0191 Screening compound: 2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
G954-0191 Screening compound: 2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0191
2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)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

G954-0191

Molecular Formula

C23H20N4OS3 (C23 H20 N4 OS3)

Compound Name

2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-({6-[4-methyl-2-(thiophen-2-yl)-13-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

Cc1c(-c(cc2)nnc2SCC(N(CCC2)c3c2cccc3)=O)sc(-c2cccs2)n1

InChI

InChI=1S/C23H20N4OS3/c1-15-22(31-23(24-15)19-9-5-13-29-19)17-10-11-20(26-25-17)30-14-21(28)27-12-4-7-16-6-2-3-8-18(16)27/h2-3,5-6,8-11,13H,4,7,12,14H2,1H3

InChI Key

JTNWBGQSDCXFIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.224

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.02

Polar Surface Area

47.185

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G954-0191 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G954-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0191?
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What is the minimum amount of G954-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0191
  • 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 G954-0191 available by request