J097-0638 Screening compound: 6,7-dimethyl-N~9~-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0638 Screening compound: 6,7-dimethyl-N~9~-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0638 Screening compound: 6,7-dimethyl-N~9~-(4-methylbenzyl)-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 J097-0638
6,7-dimethyl-N~9~-(4-methylbenzyl)-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

J097-0638

Molecular Formula

C23H22N2O3S (C23 H22 N2 O3 S)

Compound Name

6,7-dimethyl-N~9~-(4-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

911-dimethyl-N-[(4-methylphenyl)methyl]-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-carboxamide

SMILES

Cc1ccc(CNC(c(cc2C)cc(-c3c4cccc3)c2N(C)S4(=O)=O)=O)cc1

InChI

InChI=1S/C23H22N2O3S/c1-15-8-10-17(11-9-15)14-24-23(26)18-12-16(2)22-20(13-18)19-6-4-5-7-21(19)29(27,28)25(22)3/h4-13H,14H2,1-3H3,(H,24,26)

InChI Key

RZSVYGHDPPJFRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.56

Polar Surface Area

57.609

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

J097-0638 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J097-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0638?
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What is the minimum amount of J097-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0638
  • 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 J097-0638 available by request