Screening compound: C25H26F3N3O4 (S947-5084)

Screening compound: C<sub>25</sub>H<sub>26</sub>F<sub>3</sub>N<sub>3</sub>O<sub>4</sub> (S947-5084)
Screening compound: C<sub>25</sub>H<sub>26</sub>F<sub>3</sub>N<sub>3</sub>O<sub>4</sub> (S947-5084) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C25H26F3N3O4 (S947-5084)

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

S947-5084

Molecular Formula

C25H26F3N3O4 (C25 H26 F3 N3 O4)

Compound Name

4-[(3aR,7aS)-2-(3,4-dimethoxybenzoyl)-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile

IUPAC name

4-[(3aR7aS)-2-(34-dimethoxybenzoyl)-3a-(hydroxymethyl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile

SMILES

COc(ccc(C(N(C1)C[C@@](CO)(C2)[C@H]1CCN2c(cc1)cc(C(F)(F)F)c1C#N)=O)c1)c1OC

InChI

InChI=1S/C25H26F3N3O4/c1-34-21-6-4-16(9-22(21)35-2)23(33)31-12-18-7-8-30(13-24(18,14-31)15-32)19-5-3-17(11-29)20(10-19)25(26,27)28/h3-6,9-10,18,32H,7-8,12-15H2,1-2H3/t18-,24-/m1/s1

InChI Key

HYFAMXMPGOEIRC-HOYKHHGWSA-N

MDL Number (MFCD)

C25H26F3N3O4 (S947-5084) in Drug Discovery

Included in Screening Libraries

Androgen Receptor Antagonists Library (4240 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Male
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C25H26F3N3O4 (S947-5084) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C25H26F3N3O4 (S947-5084)?
Check Price and Availability of C25H26F3N3O4 (S947-5084), 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 C25H26F3N3O4 (S947-5084) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C25H26F3N3O4 (S947-5084)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C25H26F3N3O4 (S947-5084)
  • 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 C25H26F3N3O4 (S947-5084) available by request