J103-0204 Screening compound: 2-[2-oxo-2-(thiomorpholin-4-yl)ethyl]-2,3,5,6,7,8-hexahydrocinnolin-3-one

J103-0204 Screening compound: 2-[2-oxo-2-(thiomorpholin-4-yl)ethyl]-2,3,5,6,7,8-hexahydrocinnolin-3-one
J103-0204 Screening compound: 2-[2-oxo-2-(thiomorpholin-4-yl)ethyl]-2,3,5,6,7,8-hexahydrocinnolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0204
2-[2-oxo-2-(thiomorpholin-4-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

J103-0204

Molecular Formula

C14H19N3O2S (C14 H19 N3 O2 S)

Compound Name

2-[2-oxo-2-(thiomorpholin-4-yl)ethyl]-2,3,5,6,7,8-hexahydrocinnolin-3-one

IUPAC name

2-[2-oxo-2-(thiomorpholin-4-yl)ethyl]-235678-hexahydrocinnolin-3-one

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)N1CCSCC1

InChI

InChI=1S/C14H19N3O2S/c18-13-9-11-3-1-2-4-12(11)15-17(13)10-14(19)16-5-7-20-8-6-16/h9H,1-8,10H2

InChI Key

CBVGRMZUQFXOFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19709245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.506

Distribution Coefficient, logD

0.506

Water Solubility, LogSw

-1.25

Polar Surface Area

44.625

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.29

J103-0204 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with J103-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0204?
Check Price and Availability of J103-0204, 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 J103-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0204
  • 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 J103-0204 available by request