Screening compound: C22H29F3N4O2 (S947-0575)

Screening compound: C<sub>22</sub>H<sub>29</sub>F<sub>3</sub>N<sub>4</sub>O<sub>2</sub> (S947-0575)
Screening compound: C<sub>22</sub>H<sub>29</sub>F<sub>3</sub>N<sub>4</sub>O<sub>2</sub> (S947-0575) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C22H29F3N4O2 (S947-0575)

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

S947-0575

Molecular Formula

C22H29F3N4O2 (C22 H29 F3 N4 O2)

Compound Name

(3aR,7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N-isopropyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide

IUPAC name

(3aR7aR)-2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-(ethoxymethyl)-N-(propan-2-yl)-octahydro-1H-pyrrolo[34-c]pyridine-5-carboxamide

SMILES

CCOC[C@](CN(C1)c(cc2)cc(C(F)(F)F)c2C#N)(C2)[C@H]1CCN2C(NC(C)C)=O

InChI

InChI=1S/C22H29F3N4O2/c1-4-31-14-21-12-28(20(30)27-15(2)3)8-7-17(21)11-29(13-21)18-6-5-16(10-26)19(9-18)22(23,24)25/h5-6,9,15,17H,4,7-8,11-14H2,1-3H3,(H,27,30)/t17-,21-/m1/s1

InChI Key

GLASUNPAGNCSJN-DYESRHJHSA-N

MDL Number (MFCD)

C22H29F3N4O2 (S947-0575) in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C22H29F3N4O2 (S947-0575) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C22H29F3N4O2 (S947-0575)?
Check Price and Availability of C22H29F3N4O2 (S947-0575), 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 C22H29F3N4O2 (S947-0575) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C22H29F3N4O2 (S947-0575)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C22H29F3N4O2 (S947-0575)
  • 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 C22H29F3N4O2 (S947-0575) available by request