J102-0248 Screening compound: 2-{2-[4-(1H-INDOL-3-YL)-1,2,3,6-TETRAHYDROPYRIDIN-1-YL]-2-OXOETHYL}-2H,3H,5H,6H,7H,8H,9H-CYCLOHEPTA[C]PYRIDAZIN-3-ONE

J102-0248 Screening compound: 2-{2-[4-(1H-INDOL-3-YL)-1,2,3,6-TETRAHYDROPYRIDIN-1-YL]-2-OXOETHYL}-2H,3H,5H,6H,7H,8H,9H-CYCLOHEPTA[C]PYRIDAZIN-3-ONE
J102-0248 Screening compound: 2-{2-[4-(1H-INDOL-3-YL)-1,2,3,6-TETRAHYDROPYRIDIN-1-YL]-2-OXOETHYL}-2H,3H,5H,6H,7H,8H,9H-CYCLOHEPTA[C]PYRIDAZIN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0248
2-{2-[4-(1H-INDOL-3-YL)-1,2,3,6-TETRAHYDROPYRIDIN-1-YL]-2-OXOETHYL}-2H,3H,5H,6H,7H,8H,9H-CYCLOHEPTA[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

J102-0248

Molecular Formula

C24H26N4O2 (C24 H26 N4 O2)

Compound Name

2-{2-[4-(1H-INDOL-3-YL)-1,2,3,6-TETRAHYDROPYRIDIN-1-YL]-2-OXOETHYL}-2H,3H,5H,6H,7H,8H,9H-CYCLOHEPTA[C]PYRIDAZIN-3-ONE

IUPAC name

2-{2-[4-(1H-indol-3-yl)-1236-tetrahydropyridin-1-yl]-2-oxoethyl}-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-3-one

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)N(CC1)CC=C1c1c[nH]c2c1cccc2

InChI

InChI=1S/C24H26N4O2/c29-23-14-18-6-2-1-3-8-21(18)26-28(23)16-24(30)27-12-10-17(11-13-27)20-15-25-22-9-5-4-7-19(20)22/h4-5,7,9-10,14-15,25H,1-3,6,8,11-13,16H2

InChI Key

XNCKGVXJDBDGQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.56

Polar Surface Area

54.556

Acid Dissociation Constant (pKa)

17.65

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

J102-0248 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J102-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0248?
Check Price and Availability of J102-0248, 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 J102-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0248
  • 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 J102-0248 available by request