J097-0126 Screening compound: N~9~-(3-chloro-4-fluorophenyl)-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0126 Screening compound: N~9~-(3-chloro-4-fluorophenyl)-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0126 Screening compound: N~9~-(3-chloro-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 J097-0126
N~9~-(3-chloro-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

J097-0126

Molecular Formula

C20H14ClFN2O3S (C20 H14 ClFN2 O3 S)

Compound Name

N~9~-(3-chloro-4-fluorophenyl)-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

N-(3-chloro-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)cc(Cl)c1F)=O)c1)c1-c1c2cccc1)S2(=O)=O

InChI

InChI=1S/C20H14ClFN2O3S/c1-24-18-9-6-12(20(25)23-13-7-8-17(22)16(21)11-13)10-15(18)14-4-2-3-5-19(14)28(24,26)27/h2-11H,1H3,(H,23,25)

InChI Key

SKJVIHFEAZOFNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.86

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

4.754

Distribution Coefficient, logD

4.616

Water Solubility, LogSw

-4.88

Polar Surface Area

55.130

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

J097-0126 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 J097-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0126?
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What is the minimum amount of J097-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0126
  • 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 J097-0126 available by request