J097-0523 Screening compound: 6-allyl-N~9~-(4-bromo-2-fluorophenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0523 Screening compound: 6-allyl-N~9~-(4-bromo-2-fluorophenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0523 Screening compound: 6-allyl-N~9~-(4-bromo-2-fluorophenyl)-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 J097-0523
6-allyl-N~9~-(4-bromo-2-fluorophenyl)-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

J097-0523

Molecular Formula

C22H16BrFN2O3S (C22 H16 BrFN2 O3 S)

Compound Name

6-allyl-N~9~-(4-bromo-2-fluorophenyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-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

C=CCN(c(ccc(C(Nc(ccc(Br)c1)c1F)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C22H16BrFN2O3S/c1-2-11-26-20-10-7-14(22(27)25-19-9-8-15(23)13-18(19)24)12-17(20)16-5-3-4-6-21(16)30(26,28)29/h2-10,12-13H,1,11H2,(H,25,27)

InChI Key

BJVAELVLUAIEDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.35

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

5.130

Distribution Coefficient, logD

4.990

Water Solubility, LogSw

-5.31

Polar Surface Area

53.405

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with J097-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0523?
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What is the minimum amount of J097-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0523
  • 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 J097-0523 available by request