G954-0301 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

G954-0301 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide
G954-0301 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0301
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[2-(4-fluorophenyl)-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

G954-0301

Molecular Formula

C24H19FN4O3S2 (C24 H19 FN4 O3 S2)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-({6-[2-(4-fluorophenyl)-4-methyl-13-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetamide

SMILES

Cc1c(-c(cc2)nnc2SCC(Nc(cc2)cc3c2OCCO3)=O)sc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C24H19FN4O3S2/c1-14-23(34-24(26-14)15-2-4-16(25)5-3-15)18-7-9-22(29-28-18)33-13-21(30)27-17-6-8-19-20(12-17)32-11-10-31-19/h2-9,12H,10-11,13H2,1H3,(H,27,30)

InChI Key

ZONAJSFAALYZGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.04

Polar Surface Area

70.083

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G954-0301 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • 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 G954-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0301?
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What is the minimum amount of G954-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0301
  • 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 G954-0301 available by request