J097-0363 Screening compound: N~9~-(4-chloro-2,5-dimethoxyphenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0363 Screening compound: N~9~-(4-chloro-2,5-dimethoxyphenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0363 Screening compound: N~9~-(4-chloro-2,5-dimethoxyphenyl)-6-ethyl-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 J097-0363
N~9~-(4-chloro-2,5-dimethoxyphenyl)-6-ethyl-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

J097-0363

Molecular Formula

C23H21ClN2O5S (C23 H21 ClN2 O5 S)

Compound Name

N~9~-(4-chloro-2,5-dimethoxyphenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-9-ethyl-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(c(OC)c1)cc(OC)c1Cl)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C23H21ClN2O5S/c1-4-26-19-10-9-14(11-16(19)15-7-5-6-8-22(15)32(26,28)29)23(27)25-18-13-20(30-2)17(24)12-21(18)31-3/h5-13H,4H2,1-3H3,(H,25,27)

InChI Key

LOQWCUFTPTWAAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

4.116

Water Solubility, LogSw

-4.58

Polar Surface Area

68.413

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

J097-0363 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with J097-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0363?
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What is the minimum amount of J097-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0363
  • 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 J097-0363 available by request