J097-0520 Screening compound: 6-allyl-N~9~-[2-(methylsulfanyl)phenyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0520 Screening compound: 6-allyl-N~9~-[2-(methylsulfanyl)phenyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0520 Screening compound: 6-allyl-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 J097-0520
6-allyl-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

J097-0520

Molecular Formula

C23H20N2O3S2 (C23 H20 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc(cccc1)c1NC(c(cc1)cc(-c2c3cccc2)c1N(CC=C)S3(=O)=O)=O

InChI

InChI=1S/C23H20N2O3S2/c1-3-14-25-20-13-12-16(23(26)24-19-9-5-6-10-21(19)29-2)15-18(20)17-8-4-7-11-22(17)30(25,27)28/h3-13,15H,1,14H2,2H3,(H,24,26)

InChI Key

CRDSFSINGXCDHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.30

Polar Surface Area

53.405

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

J097-0520 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J097-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0520?
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What is the minimum amount of J097-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0520
  • 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 J097-0520 available by request