J103-0192 Screening compound: 2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one

J103-0192 Screening compound: 2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
J103-0192 Screening compound: 2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0192
2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-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

J103-0192

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one

IUPAC name

2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-235678-hexahydrocinnolin-3-one

SMILES

COc1cccc(N(CC2)CCN2C(CN2N=C(CCCC3)C3=CC2=O)=O)c1

InChI

InChI=1S/C21H26N4O3/c1-28-18-7-4-6-17(14-18)23-9-11-24(12-10-23)21(27)15-25-20(26)13-16-5-2-3-8-19(16)22-25/h4,6-7,13-14H,2-3,5,8-12,15H2,1H3

InChI Key

NZVBPEWXAVPQCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19709300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.825

Distribution Coefficient, logD

1.825

Water Solubility, LogSw

-2.18

Polar Surface Area

55.429

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

J103-0192 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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:
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J103-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0192?
Check Price and Availability of J103-0192, 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 J103-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0192
  • 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 J103-0192 available by request