Screening compound: C21H24F3N3O2 (S948-0090)

Screening compound: C<sub>21</sub>H<sub>24</sub>F<sub>3</sub>N<sub>3</sub>O<sub>2</sub> (S948-0090)
Screening compound: C<sub>21</sub>H<sub>24</sub>F<sub>3</sub>N<sub>3</sub>O<sub>2</sub> (S948-0090) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C21H24F3N3O2 (S948-0090)

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

S948-0090

Molecular Formula

C21H24F3N3O2 (C21 H24 F3 N3 O2)

Compound Name

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

IUPAC name

4-[(3aR7aS)-2-(2-cyclopropylacetyl)-7a-(hydroxymethyl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile

SMILES

N#Cc(cc1)c(C(F)(F)F)cc1N1C[C@@H](CN(C2)C(CC3CC3)=O)[C@]2(CO)CC1

InChI

InChI=1S/C21H24F3N3O2/c22-21(23,24)18-8-17(4-3-15(18)9-25)26-6-5-20(13-28)12-27(11-16(20)10-26)19(29)7-14-1-2-14/h3-4,8,14,16,28H,1-2,5-7,10-13H2/t16-,20+/m0/s1

InChI Key

KPJHMSRMRWNWOJ-OXJNMPFZSA-N

MDL Number (MFCD)

C21H24F3N3O2 (S948-0090) in Drug Discovery

Included in Screening Libraries

Androgen Receptor Antagonists Library (4240 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Male
  • Skin
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C21H24F3N3O2 (S948-0090) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C21H24F3N3O2 (S948-0090)?
Check Price and Availability of C21H24F3N3O2 (S948-0090), 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 C21H24F3N3O2 (S948-0090) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C21H24F3N3O2 (S948-0090)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C21H24F3N3O2 (S948-0090)
  • 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 C21H24F3N3O2 (S948-0090) available by request