G954-0347 Screening compound: 2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetonitrile

G954-0347 Screening compound: 2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetonitrile
G954-0347 Screening compound: 2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G954-0347
2-({6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetonitrile

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

G954-0347

Molecular Formula

C16H11FN4S2 (C16 H11 FN4 S2)

Compound Name

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

IUPAC name

2-({6-[2-(4-fluorophenyl)-4-methyl-13-thiazol-5-yl]pyridazin-3-yl}sulfanyl)acetonitrile

SMILES

Cc1c(-c(cc2)nnc2SCC#N)sc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C16H11FN4S2/c1-10-15(13-6-7-14(21-20-13)22-9-8-18)23-16(19-10)11-2-4-12(17)5-3-11/h2-7H,9H2,1H3

InChI Key

SGUWWECTRHCFKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09005604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.64

Polar Surface Area

48.873

Acid Dissociation Constant (pKa)

21.23

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G954-0347 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G954-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G954-0347?
Check Price and Availability of G954-0347, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G954-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G954-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G954-0347
  • 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 G954-0347 available by request