G954-0379 Screening compound: 2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one

G954-0379 Screening compound: 2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one
G954-0379 Screening compound: 2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0379
2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)-1-(3-methoxyphenyl)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

G954-0379

Molecular Formula

C23H18FN3O2S2 (C23 H18 FN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c(cc2)nnc2SCC(c2cc(OC)ccc2)=O)sc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C23H18FN3O2S2/c1-14-22(31-23(25-14)15-6-8-17(24)9-7-15)19-10-11-21(27-26-19)30-13-20(28)16-4-3-5-18(12-16)29-2/h3-12H,13H2,1-2H3

InChI Key

JYZVGPBOJSWXQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.392

Distribution Coefficient, logD

5.392

Water Solubility, LogSw

-5.47

Polar Surface Area

51.901

Acid Dissociation Constant (pKa)

18.57

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G954-0379 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G954-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0379?
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What is the minimum amount of G954-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0379
  • 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 G954-0379 available by request