Screening compound: C29H21FN2O5S (C529-0721)

Screening compound: C<sub>29</sub>H<sub>21</sub>FN<sub>2</sub>O<sub>5</sub>S (C529-0721)
Screening compound: C<sub>29</sub>H<sub>21</sub>FN<sub>2</sub>O<sub>5</sub>S (C529-0721) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C29H21FN2O5S (C529-0721)

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

C529-0721

Molecular Formula

C29H21FN2O5S (C29 H21 FN2 O5 S)

Compound Name

N~8~-(1,3-benzodioxol-5-ylmethyl)-10-(2-fluorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-9-[(2-fluorophenyl)methyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

O=C(c(cc1)cc(N(Cc(cccc2)c2F)C(c2c3cccc2)=O)c1S3=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C29H23FN2O5S/c30-22-7-3-1-5-20(22)16-32-23-14-19(28(33)31-15-18-9-11-24-25(13-18)37-17-36-24)10-12-27(23)38(35)26-8-4-2-6-21(26)29(32)34/h1-14H,15-17,38H2,(H,31,33)

InChI Key

KLTSBSQXIYKCLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767349

C29H21FN2O5S (C529-0721) in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 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
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C29H21FN2O5S (C529-0721) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C29H21FN2O5S (C529-0721)?
Check Price and Availability of C29H21FN2O5S (C529-0721), 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 C29H21FN2O5S (C529-0721) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C29H21FN2O5S (C529-0721)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C29H21FN2O5S (C529-0721)
  • 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 C29H21FN2O5S (C529-0721) available by request