Screening compound: C31H33N3O5S (C529-0966)

Screening compound: C<sub>31</sub>H<sub>33</sub>N<sub>3</sub>O<sub>5</sub>S (C529-0966)
Screening compound: C<sub>31</sub>H<sub>33</sub>N<sub>3</sub>O<sub>5</sub>S (C529-0966) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C31H33N3O5S (C529-0966)

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

C529-0966

Molecular Formula

C31H33N3O5S (C31 H33 N3 O5 S)

Compound Name

ethyl 4-({[10-(2,5-dimethylbenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}amino)tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-{9-[(25-dimethylphenyl)methyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c(cc1)cc(N(Cc2c(C)ccc(C)c2)C(c2c3cccc2)=O)c1S3=O)=O)=O

InChI

InChI=1S/C31H35N3O5S/c1-4-39-31(37)33-15-13-24(14-16-33)32-29(35)22-11-12-28-26(18-22)34(19-23-17-20(2)9-10-21(23)3)30(36)25-7-5-6-8-27(25)40(28)38/h5-12,17-18,24H,4,13-16,19,40H2,1-3H3,(H,32,35)

InChI Key

SSBBXBHLUXWUNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767478

C31H33N3O5S (C529-0966) in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C31H33N3O5S (C529-0966) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C31H33N3O5S (C529-0966)?
Check Price and Availability of C31H33N3O5S (C529-0966), 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 C31H33N3O5S (C529-0966) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C31H33N3O5S (C529-0966)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C31H33N3O5S (C529-0966)
  • 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 C31H33N3O5S (C529-0966) available by request