G954-0185 Screening compound: 2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one

G954-0185 Screening compound: 2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
G954-0185 Screening compound: 2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0185
2-({6-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(4-methylpiperidin-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

G954-0185

Molecular Formula

C20H22N4OS3 (C20 H22 N4 OS3)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(CSc(cc1)nnc1-c1c(C)nc(-c2cccs2)s1)=O

InChI

InChI=1S/C20H22N4OS3/c1-13-7-9-24(10-8-13)18(25)12-27-17-6-5-15(22-23-17)19-14(2)21-20(28-19)16-4-3-11-26-16/h3-6,11,13H,7-10,12H2,1-2H3

InChI Key

XICSIHQHBDMVNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.62

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

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.20

Polar Surface Area

48.521

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G954-0185 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G954-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0185?
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What is the minimum amount of G954-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0185
  • 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 G954-0185 available by request