Screening compound: InChI=1S/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2

Screening compound: InChI=1S/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2
Screening compound: InChI=1S/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2

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

G599-0526

Molecular Formula

C27H18N2O4S (C27 H18 N2 O4 S)

Compound Name

2-furylmethyl 10-(2-cyanobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

(furan-2-yl)methyl 9-[(2-cyanophenyl)methyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxylate

SMILES

N#Cc1c(CN(c(cc(cc2)C(OCc3ccco3)=O)c2Sc2c3cccc2)C3=O)cccc1

InChI

InChI=1S/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2

InChI Key

VRKLFORACPJQMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022362

InChI=1S/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with InChI=1S/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound InChI=1S/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2?
Check Price and Availability of InChI=1S/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2, 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.
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2
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/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2
  • 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/C27H18N2O4S/c28-15-19-6-1-2-7-20(19)16-29-23-14-18(27(31)33-17-21-8-5-13-32-21)11-12-25(23)34-24-10-4-3-9-22(24)26(29)30/h1-14H,16-17H2 available by request