S943-0411 Screening compound: (2S,4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-phenoxytetrahydro-1H-pyrrole-2-carboxamide

S943-0411 Screening compound: (2S,4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-phenoxytetrahydro-1H-pyrrole-2-carboxamide
S943-0411 Screening compound: (2S,4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-phenoxytetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S943-0411
(2S,4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-phenoxytetrahydro-1H-pyrrole-2-carboxamide

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

S943-0411

Molecular Formula

C22H20F3N3O2 (C22 H20 F3 N3 O2)

Compound Name

(2S,4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-phenoxytetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

(2S4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-phenoxypyrrolidine-2-carboxamide

SMILES

N#Cc(cc1)c(C(F)(F)F)cc1N(C[C@H](C1)Oc2ccccc2)[C@@H]1C(NC1CC1)=O

InChI

InChI=1S/C22H20F3N3O2/c23-22(24,25)19-10-16(9-6-14(19)12-26)28-13-18(30-17-4-2-1-3-5-17)11-20(28)21(29)27-15-7-8-15/h1-6,9-10,15,18,20H,7-8,11,13H2,(H,27,29)/t18-,20+/m1/s1

InChI Key

NRXPWQIWVOTSTO-QUCCMNQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.839

Distribution Coefficient, logD

3.839

Water Solubility, LogSw

-4.15

Polar Surface Area

51.472

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

S943-0411 in Drug Discovery

Included in Screening Libraries

Androgen Receptor Antagonists Library (4240 compounds)

Natural-Product-Based Library (3730 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:
  • Pool
  • Mimetics

References: we are preparing a list of scientific research reports with S943-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S943-0411?
Check Price and Availability of S943-0411, 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 S943-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S943-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S943-0411
  • 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 S943-0411 available by request