J097-0102 Screening compound: N~9~-(4-fluorophenyl)-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0102 Screening compound: N~9~-(4-fluorophenyl)-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0102 Screening compound: N~9~-(4-fluorophenyl)-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 J097-0102
N~9~-(4-fluorophenyl)-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

J097-0102

Molecular Formula

C20H15FN2O3S (C20 H15 FN2 O3 S)

Compound Name

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

IUPAC name

N-(4-fluorophenyl)-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(Nc(cc1)ccc1F)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C20H15FN2O3S/c1-23-18-11-6-13(20(24)22-15-9-7-14(21)8-10-15)12-17(18)16-4-2-3-5-19(16)27(23,25)26/h2-12H,1H3,(H,22,24)

InChI Key

CYOSMHUALYGPBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

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

4.053

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.25

Polar Surface Area

55.130

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

J097-0102 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J097-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0102?
Check Price and Availability of J097-0102, 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 J097-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0102
  • 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 J097-0102 available by request