Screening compound: C33H33ClN2O4S (C529-0568)

Screening compound: C<sub>33</sub>H<sub>33</sub>ClN<sub>2</sub>O<sub>4</sub>S (C529-0568)
Screening compound: C<sub>33</sub>H<sub>33</sub>ClN<sub>2</sub>O<sub>4</sub>S (C529-0568) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C33H33ClN2O4S (C529-0568)

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

C529-0568

Molecular Formula

C33H33ClN2O4S (C33 H33 ClN2 O4 S)

Compound Name

10-(4-chlorobenzyl)-N~8~-(3-cyclohexenylmethyl)-5,11-dioxo-N~8~-(tetrahydro-2-furanylmethyl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(4-chlorophenyl)methyl]-N-[(cyclohex-3-en-1-yl)methyl]-210-dioxo-N-[(oxolan-2-yl)methyl]-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(cc2)ccc2Cl)C(c2c3cccc2)=O)c1S3=O)N(CC1OCCC1)CC1CC=CCC1

InChI

InChI=1S/C33H35ClN2O4S/c34-26-15-12-24(13-16-26)21-36-29-19-25(14-17-31(29)41(39)30-11-5-4-10-28(30)33(36)38)32(37)35(22-27-9-6-18-40-27)20-23-7-2-1-3-8-23/h1-2,4-5,10-17,19,23,27H,3,6-9,18,20-22,41H2

InChI Key

VFAYIIURXNNGOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767275

C33H33ClN2O4S (C529-0568) in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C33H33ClN2O4S (C529-0568) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C33H33ClN2O4S (C529-0568)?
Check Price and Availability of C33H33ClN2O4S (C529-0568), 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 C33H33ClN2O4S (C529-0568) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C33H33ClN2O4S (C529-0568)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C33H33ClN2O4S (C529-0568)
  • 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 C33H33ClN2O4S (C529-0568) available by request