Screening compound: PPLWOMBNJCQLDB-IIBYNOLFSA-N

Screening compound: PPLWOMBNJCQLDB-IIBYNOLFSA-N
Screening compound: PPLWOMBNJCQLDB-IIBYNOLFSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
PPLWOMBNJCQLDB-IIBYNOLFSA-N

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

S947-0111

Molecular Formula

C22H23F3N4O2 (C22 H23 F3 N4 O2)

Compound Name

4-{(3aR,7aR)-3a-(hydroxymethyl)-5-[(1-methyl-1H-pyrrol-2-yl)carbonyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile

IUPAC name

4-[(3aR7aR)-3a-(hydroxymethyl)-5-(1-methyl-1H-pyrrole-2-carbonyl)-octahydro-1H-pyrrolo[34-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile

SMILES

Cn1c(C(N2C[C@](CO)(CN(C3)c(cc4)cc(C(F)(F)F)c4C#N)[C@H]3CC2)=O)ccc1

InChI

InChI=1S/C22H23F3N4O2/c1-27-7-2-3-19(27)20(31)28-8-6-16-11-29(13-21(16,12-28)14-30)17-5-4-15(10-26)18(9-17)22(23,24)25/h2-5,7,9,16,30H,6,8,11-14H2,1H3/t16-,21-/m1/s1

InChI Key

PPLWOMBNJCQLDB-IIBYNOLFSA-N

MDL Number (MFCD)

PPLWOMBNJCQLDB-IIBYNOLFSA-N 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 PPLWOMBNJCQLDB-IIBYNOLFSA-N chemical compound. It will be published here after verification.

Frequently Asked Questions

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