J097-0362 Screening compound: N~9~-{2-[(tert-butylamino)carbonyl]phenyl}-6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0362 Screening compound: N~9~-{2-[(tert-butylamino)carbonyl]phenyl}-6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0362 Screening compound: N~9~-{2-[(tert-butylamino)carbonyl]phenyl}-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 J097-0362
N~9~-{2-[(tert-butylamino)carbonyl]phenyl}-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

J097-0362

Molecular Formula

C26H27N3O4S (C26 H27 N3 O4 S)

Compound Name

N~9~-{2-[(tert-butylamino)carbonyl]phenyl}-6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

N-[2-(tert-butylcarbamoyl)phenyl]-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(cccc1)c1C(NC(C)(C)C)=O)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C26H27N3O4S/c1-5-29-22-15-14-17(16-20(22)18-10-7-9-13-23(18)34(29,32)33)24(30)27-21-12-8-6-11-19(21)25(31)28-26(2,3)4/h6-16H,5H2,1-4H3,(H,27,30)(H,28,31)

InChI Key

ZKLRLFQRBUHFBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-4.19

Polar Surface Area

76.660

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J097-0362 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J097-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0362?
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What is the minimum amount of J097-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0362
  • 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 J097-0362 available by request