J097-0343 Screening compound: 6-ethyl-N~9~-[2-(methylsulfanyl)phenyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0343 Screening compound: 6-ethyl-N~9~-[2-(methylsulfanyl)phenyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0343 Screening compound: 6-ethyl-N~9~-[2-(methylsulfanyl)phenyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J097-0343
6-ethyl-N~9~-[2-(methylsulfanyl)phenyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

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

J097-0343

Molecular Formula

C22H20N2O3S2 (C22 H20 N2 O3 S2)

Compound Name

6-ethyl-N~9~-[2-(methylsulfanyl)phenyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

9-ethyl-N-[2-(methylsulfanyl)phenyl]-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-carboxamide

SMILES

CCN(c(ccc(C(Nc(cccc1)c1SC)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C22H20N2O3S2/c1-3-24-19-13-12-15(22(25)23-18-9-5-6-10-20(18)28-2)14-17(19)16-8-4-7-11-21(16)29(24,26)27/h4-14H,3H2,1-2H3,(H,23,25)

InChI Key

KEPIREFQYMMRPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.22

Polar Surface Area

53.152

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J097-0343 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J097-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0343?
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What is the minimum amount of J097-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0343
  • 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 J097-0343 available by request