J103-0067 Screening compound: 2-(2-oxo-2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethyl)-2,3,5,6,7,8-hexahydrocinnolin-3-one

J103-0067 Screening compound: 2-(2-oxo-2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethyl)-2,3,5,6,7,8-hexahydrocinnolin-3-one
J103-0067 Screening compound: 2-(2-oxo-2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethyl)-2,3,5,6,7,8-hexahydrocinnolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0067
2-(2-oxo-2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethyl)-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

J103-0067

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

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

IUPAC name

2-(2-oxo-2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethyl)-235678-hexahydrocinnolin-3-one

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)N1CCN(CCc2ccncc2)CC1

InChI

InChI=1S/C21H27N5O2/c27-20-15-18-3-1-2-4-19(18)23-26(20)16-21(28)25-13-11-24(12-14-25)10-7-17-5-8-22-9-6-17/h5-6,8-9,15H,1-4,7,10-14,16H2

InChI Key

IXJZBTFVLDCUFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22584660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.298

Distribution Coefficient, logD

0.267

Water Solubility, LogSw

-0.95

Polar Surface Area

57.572

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

J103-0067 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J103-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0067?
Check Price and Availability of J103-0067, 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 J103-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0067
  • 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 J103-0067 available by request