J097-0419 Screening compound: 6-allyl-N~9~-(3,5-dimethylphenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0419 Screening compound: 6-allyl-N~9~-(3,5-dimethylphenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0419 Screening compound: 6-allyl-N~9~-(3,5-dimethylphenyl)-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 J097-0419
6-allyl-N~9~-(3,5-dimethylphenyl)-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

J097-0419

Molecular Formula

C24H22N2O3S (C24 H22 N2 O3 S)

Compound Name

6-allyl-N~9~-(3,5-dimethylphenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

N-(35-dimethylphenyl)-88-dioxo-9-(prop-2-en-1-yl)-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-carboxamide

SMILES

Cc1cc(NC(c(cc2)cc(-c3c4cccc3)c2N(CC=C)S4(=O)=O)=O)cc(C)c1

InChI

InChI=1S/C24H22N2O3S/c1-4-11-26-22-10-9-18(24(27)25-19-13-16(2)12-17(3)14-19)15-21(22)20-7-5-6-8-23(20)30(26,28)29/h4-10,12-15H,1,11H2,2-3H3,(H,25,27)

InChI Key

SSFNMYBPKAPXDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

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

4.944

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-4.55

Polar Surface Area

54.103

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with J097-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0419?
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What is the minimum amount of J097-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0419
  • 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 J097-0419 available by request