S349-0123 Screening compound: 6-acetyl-2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one

S349-0123 Screening compound: 6-acetyl-2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one
S349-0123 Screening compound: 6-acetyl-2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S349-0123
6-acetyl-2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-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

S349-0123

Molecular Formula

C19H20N4O3 (C19 H20 N4 O3)

Compound Name

6-acetyl-2-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one

IUPAC name

6-acetyl-2-[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]-2H3H5H6H7H8H-pyrido[43-c]pyridazin-3-one

SMILES

CC(N(CCC1=NN2CC(N(CC3)c4c3cccc4)=O)CC1=CC2=O)=O

InChI

InChI=1S/C19H20N4O3/c1-13(24)21-8-7-16-15(11-21)10-18(25)23(20-16)12-19(26)22-9-6-14-4-2-3-5-17(14)22/h2-5,10H,6-9,11-12H2,1H3

InChI Key

FVGCSWNBIVMYNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.407

Distribution Coefficient, logD

0.407

Water Solubility, LogSw

-1.55

Polar Surface Area

60.785

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

S349-0123 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S349-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S349-0123?
Check Price and Availability of S349-0123, 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 S349-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S349-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S349-0123
  • 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 S349-0123 available by request