Screening compound: InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2

Screening compound: InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2
Screening compound: InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2

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

G786-0390

Molecular Formula

C22H16FN3O3S (C22 H16 FN3 O3 S)

Compound Name

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-(6-fluoro-13-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

O=C(c(cc1)cc2c1OCCO2)N(Cc1cnccc1)c1nc(ccc(F)c2)c2s1

InChI

InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2

InChI Key

AWASAWATEZGCQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06715082

InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2
  • 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 InChI=1S/C22H16FN3O3S/c23-16-4-5-17-20(11-16)30-22(25-17)26(13-14-2-1-7-24-12-14)21(27)15-3-6-18-19(10-15)29-9-8-28-18/h1-7,10-12H,8-9,13H2 available by request