G954-0031 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

G954-0031 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide
G954-0031 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0031
N-(2H-1,3-benzodioxol-5-yl)-2-({6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

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

G954-0031

Molecular Formula

C24H20N4O4S2 (C24 H20 N4 O4 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({6-[2-(3-methoxyphenyl)-4-methyl-13-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

SMILES

Cc1c(-c(cc2)nnc2SCC(Nc(cc2)cc3c2OCO3)=O)sc(-c2cc(OC)ccc2)n1

InChI

InChI=1S/C24H20N4O4S2/c1-14-23(34-24(25-14)15-4-3-5-17(10-15)30-2)18-7-9-22(28-27-18)33-12-21(29)26-16-6-8-19-20(11-16)32-13-31-19/h3-11H,12-13H2,1-2H3,(H,26,29)

InChI Key

AORKOUUGLBJHJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.815

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.69

Polar Surface Area

78.919

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G954-0031 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • 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 G954-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0031?
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What is the minimum amount of G954-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0031
  • 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 G954-0031 available by request