J097-0501 Screening compound: 6-allyl-N~9~-(2-isopropylphenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0501 Screening compound: 6-allyl-N~9~-(2-isopropylphenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0501 Screening compound: 6-allyl-N~9~-(2-isopropylphenyl)-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 J097-0501
6-allyl-N~9~-(2-isopropylphenyl)-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

J097-0501

Molecular Formula

C25H24N2O3S (C25 H24 N2 O3 S)

Compound Name

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

IUPAC name

88-dioxo-9-(prop-2-en-1-yl)-N-[2-(propan-2-yl)phenyl]-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-carboxamide

SMILES

CC(C)c(cccc1)c1NC(c(cc1)cc(-c2c3cccc2)c1N(CC=C)S3(=O)=O)=O

InChI

InChI=1S/C25H24N2O3S/c1-4-15-27-23-14-13-18(25(28)26-22-11-7-5-9-19(22)17(2)3)16-21(23)20-10-6-8-12-24(20)31(27,29)30/h4-14,16-17H,1,15H2,2-3H3,(H,26,28)

InChI Key

ALVKECUAMFKAGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.057

Distribution Coefficient, logD

5.057

Water Solubility, LogSw

-4.54

Polar Surface Area

53.405

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

J097-0501 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J097-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0501?
Check Price and Availability of J097-0501, 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 J097-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0501
  • 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 J097-0501 available by request