J097-0327 Screening compound: N~9~-(2-chlorobenzyl)-6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0327 Screening compound: N~9~-(2-chlorobenzyl)-6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0327 Screening compound: N~9~-(2-chlorobenzyl)-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 J097-0327
N~9~-(2-chlorobenzyl)-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

J097-0327

Molecular Formula

C22H19ClN2O3S (C22 H19 ClN2 O3 S)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-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(NCc(cccc1)c1Cl)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C22H19ClN2O3S/c1-2-25-20-12-11-15(22(26)24-14-16-7-3-5-9-19(16)23)13-18(20)17-8-4-6-10-21(17)29(25,27)28/h3-13H,2,14H2,1H3,(H,24,26)

InChI Key

QMKWRRCSTFTCLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225017

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

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.51

Polar Surface Area

55.172

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J097-0327 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J097-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0327?
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What is the minimum amount of J097-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0327
  • 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 J097-0327 available by request