Screening compound: C31H28FN3O3S (C529-0917)

Screening compound: C<sub>31</sub>H<sub>28</sub>FN<sub>3</sub>O<sub>3</sub>S (C529-0917)
Screening compound: C<sub>31</sub>H<sub>28</sub>FN<sub>3</sub>O<sub>3</sub>S (C529-0917) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C31H28FN3O3S (C529-0917)

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

C529-0917

Molecular Formula

C31H28FN3O3S (C31 H28 FN3 O3 S)

Compound Name

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

IUPAC name

N-{2-[ethyl(phenyl)amino]ethyl}-9-[(4-fluorophenyl)methyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CCN(CCNC(c(cc1)cc(N(Cc(cc2)ccc2F)C(c2c3cccc2)=O)c1S3=O)=O)c1ccccc1

InChI

InChI=1S/C31H30FN3O3S/c1-2-34(25-8-4-3-5-9-25)19-18-33-30(36)23-14-17-29-27(20-23)35(21-22-12-15-24(32)16-13-22)31(37)26-10-6-7-11-28(26)39(29)38/h3-17,20H,2,18-19,21,39H2,1H3,(H,33,36)

InChI Key

DAQXRQXVJBNUIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767450

C31H28FN3O3S (C529-0917) in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C31H28FN3O3S (C529-0917) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C31H28FN3O3S (C529-0917)?
Check Price and Availability of C31H28FN3O3S (C529-0917), 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 C31H28FN3O3S (C529-0917) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C31H28FN3O3S (C529-0917)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C31H28FN3O3S (C529-0917)
  • 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 C31H28FN3O3S (C529-0917) available by request