J103-0244 Screening compound: 2-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one

J103-0244 Screening compound: 2-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
J103-0244 Screening compound: 2-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0244
2-{2-[4-(4-methylbenzenesulfonyl)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

J103-0244

Molecular Formula

C21H26N4O4S (C21 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(N(CC1)CCN1C(CN1N=C(CCCC2)C2=CC1=O)=O)(=O)=O

InChI

InChI=1S/C21H26N4O4S/c1-16-6-8-18(9-7-16)30(28,29)24-12-10-23(11-13-24)21(27)15-25-20(26)14-17-4-2-3-5-19(17)22-25/h6-9,14H,2-5,10-13,15H2,1H3

InChI Key

RQBIBODWEFQTPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.567

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.54

Polar Surface Area

76.144

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

J103-0244 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

References: we are preparing a list of scientific research reports with J103-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0244?
Check Price and Availability of J103-0244, 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 J103-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0244
  • 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 J103-0244 available by request