G954-0069 Screening compound: 3-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-{[(pyridin-2-yl)methyl]sulfanyl}pyridazine

G954-0069 Screening compound: 3-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-{[(pyridin-2-yl)methyl]sulfanyl}pyridazine
G954-0069 Screening compound: 3-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-{[(pyridin-2-yl)methyl]sulfanyl}pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0069
3-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-{[(pyridin-2-yl)methyl]sulfanyl}pyridazine

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

G954-0069

Molecular Formula

C21H18N4OS2 (C21 H18 N4 OS2)

Compound Name

3-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-{[(pyridin-2-yl)methyl]sulfanyl}pyridazine

IUPAC name

3-[2-(3-methoxyphenyl)-4-methyl-13-thiazol-5-yl]-6-{[(pyridin-2-yl)methyl]sulfanyl}pyridazine

SMILES

Cc1c(-c(cc2)nnc2SCc2ncccc2)sc(-c2cc(OC)ccc2)n1

InChI

InChI=1S/C21H18N4OS2/c1-14-20(28-21(23-14)15-6-5-8-17(12-15)26-2)18-9-10-19(25-24-18)27-13-16-7-3-4-11-22-16/h3-12H,13H2,1-2H3

InChI Key

IYJIGMZAQCIXCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

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

4.511

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.51

Polar Surface Area

48.197

Acid Dissociation Constant (pKa)

26.93

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G954-0069 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

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 G954-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0069?
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What is the minimum amount of G954-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0069
  • 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 G954-0069 available by request