J097-0294 Screening compound: N~9~-(5-chloro-2-methylphenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0294 Screening compound: N~9~-(5-chloro-2-methylphenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0294 Screening compound: N~9~-(5-chloro-2-methylphenyl)-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 J097-0294
N~9~-(5-chloro-2-methylphenyl)-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

J097-0294

Molecular Formula

C22H19ClN2O3S (C22 H19 ClN2 O3 S)

Compound Name

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

IUPAC name

N-(5-chloro-2-methylphenyl)-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(Nc1c(C)ccc(Cl)c1)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C22H19ClN2O3S/c1-3-25-20-11-9-15(22(26)24-19-13-16(23)10-8-14(19)2)12-18(20)17-6-4-5-7-21(17)29(25,27)28/h4-13H,3H2,1-2H3,(H,24,26)

InChI Key

MMDIAGQHAIFMFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.92

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

4.648

Distribution Coefficient, logD

4.644

Water Solubility, LogSw

-4.69

Polar Surface Area

53.152

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J097-0294 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 J097-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0294?
Check Price and Availability of J097-0294, 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 J097-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0294
  • 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 J097-0294 available by request