Screening compound: C25H31FN2O2S (S431-1061)

Screening compound: C<sub>25</sub>H<sub>31</sub>FN<sub>2</sub>O<sub>2</sub>S (S431-1061)
Screening compound: C<sub>25</sub>H<sub>31</sub>FN<sub>2</sub>O<sub>2</sub>S (S431-1061) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C25H31FN2O2S (S431-1061)

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

S431-1061

Molecular Formula

C25H31FN2O2S (C25 H31 FN2 O2 S)

Compound Name

1-(4-{cyclopropyl[(4-fluorophenyl)methyl]amino}-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(thiophen-3-yl)ethan-1-one

IUPAC name

1-(4-{cyclopropyl[(4-fluorophenyl)methyl]amino}-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(thiophen-3-yl)ethan-1-one

SMILES

O=C(Cc1cscc1)N(CC1)CCC1(C1)OCCC1N(Cc(cc1)ccc1F)C1CC1

InChI

InChI=1S/C25H31FN2O2S/c26-21-3-1-19(2-4-21)17-28(22-5-6-22)23-7-13-30-25(16-23)9-11-27(12-10-25)24(29)15-20-8-14-31-18-20/h1-4,8,14,18,22-23H,5-7,9-13,15-17H2/t23-/m1/s1

InChI Key

MCOIMRDKROQSML-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD29009695

C25H31FN2O2S (S431-1061) in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C25H31FN2O2S (S431-1061) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C25H31FN2O2S (S431-1061)?
Check Price and Availability of C25H31FN2O2S (S431-1061), 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 C25H31FN2O2S (S431-1061) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C25H31FN2O2S (S431-1061)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C25H31FN2O2S (S431-1061)
  • 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 C25H31FN2O2S (S431-1061) available by request