J102-0238 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

J102-0238 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide
J102-0238 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0238
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

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

J102-0238

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

IUPAC name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}acetamide

SMILES

COc(cc1)cc2c1[nH]cc2CCNC(CN1N=C(CCCCC2)C2=CC1=O)=O

InChI

InChI=1S/C22H26N4O3/c1-29-17-7-8-20-18(12-17)16(13-24-20)9-10-23-21(27)14-26-22(28)11-15-5-3-2-4-6-19(15)25-26/h7-8,11-13,24H,2-6,9-10,14H2,1H3,(H,23,27)

InChI Key

WTMRUSHPMJXPBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19711543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-2.95

Polar Surface Area

70.291

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

J102-0238 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Phosphatases
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 J102-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0238?
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What is the minimum amount of J102-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0238
  • 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 J102-0238 available by request