J097-0211 Screening compound: 6-ethyl-5,5-dioxo-N~9~-[2-(piperidinocarbonyl)phenyl]-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0211 Screening compound: 6-ethyl-5,5-dioxo-N~9~-[2-(piperidinocarbonyl)phenyl]-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0211 Screening compound: 6-ethyl-5,5-dioxo-N~9~-[2-(piperidinocarbonyl)phenyl]-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J097-0211
6-ethyl-5,5-dioxo-N~9~-[2-(piperidinocarbonyl)phenyl]-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

J097-0211

Molecular Formula

C27H27N3O4S (C27 H27 N3 O4 S)

Compound Name

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

IUPAC name

9-ethyl-88-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]-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(N1CCCCC1)=O)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C27H27N3O4S/c1-2-30-24-15-14-19(18-22(24)20-10-5-7-13-25(20)35(30,33)34)26(31)28-23-12-6-4-11-21(23)27(32)29-16-8-3-9-17-29/h4-7,10-15,18H,2-3,8-9,16-17H2,1H3,(H,28,31)

InChI Key

BGQJLJRMGGAICK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.187

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.07

Polar Surface Area

69.800

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

J097-0211 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J097-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0211?
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What is the minimum amount of J097-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0211
  • 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 J097-0211 available by request