J097-0564 Screening compound: N~9~-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0564 Screening compound: N~9~-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0564 Screening compound: N~9~-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethyl-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 J097-0564
N~9~-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethyl-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

J097-0564

Molecular Formula

C23H20N2O5S (C23 H20 N2 O5 S)

Compound Name

N~9~-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-911-dimethyl-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-carboxamide

SMILES

Cc1cc(C(NCc(cc2)cc3c2OCO3)=O)cc(-c2c3cccc2)c1N(C)S3(=O)=O

InChI

InChI=1S/C23H20N2O5S/c1-14-9-16(23(26)24-12-15-7-8-19-20(10-15)30-13-29-19)11-18-17-5-3-4-6-21(17)31(27,28)25(2)22(14)18/h3-11H,12-13H2,1-2H3,(H,24,26)

InChI Key

ILTVNDPOBLUIAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.352

Distribution Coefficient, logD

4.352

Water Solubility, LogSw

-4.38

Polar Surface Area

74.725

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with J097-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0564?
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What is the minimum amount of J097-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0564
  • 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 J097-0564 available by request