Screening compound: InChI=1S/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3

Screening compound: InChI=1S/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3
Screening compound: InChI=1S/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3

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

K788-1607

Molecular Formula

C27H21FN2O3S (C27 H21 FN2 O3 S)

Compound Name

10-(2-fluorobenzyl)-N~8~-(2-furylmethyl)-N~8~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

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

SMILES

CN(Cc1ccco1)C(c(cc1)cc(N2Cc(cccc3)c3F)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3

InChI Key

DTYDEZSZDYFGSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103258

InChI=1S/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with InChI=1S/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound InChI=1S/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3?
Check Price and Availability of InChI=1S/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3, 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/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3
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/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3
  • 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/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3 available by request