J097-0099 Screening compound: N~9~-bicyclo[2.2.1]hept-2-yl-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0099 Screening compound: N~9~-bicyclo[2.2.1]hept-2-yl-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0099 Screening compound: N~9~-bicyclo[2.2.1]hept-2-yl-6-methyl-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 J097-0099
N~9~-bicyclo[2.2.1]hept-2-yl-6-methyl-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

J097-0099

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

N~9~-bicyclo[2.2.1]hept-2-yl-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

N-{bicyclo[2.2.1]heptan-2-yl}-9-methyl-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-carboxamide

SMILES

CN(c(ccc(C(NC1C(CC2)CC2C1)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C21H22N2O3S/c1-23-19-9-8-15(21(24)22-18-11-13-6-7-14(18)10-13)12-17(19)16-4-2-3-5-20(16)27(23,25)26/h2-5,8-9,12-14,18H,6-7,10-11H2,1H3,(H,22,24)

InChI Key

IKVHRELURJGFAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

4.250

Water Solubility, LogSw

-4.37

Polar Surface Area

57.220

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.10

J097-0099 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J097-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0099?
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What is the minimum amount of J097-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0099
  • 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 J097-0099 available by request