S964-0171 Screening compound: (3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)-4-(methoxymethyl)tetrahydro-1H-pyrrole-3-carboxamide

S964-0171 Screening compound: (3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)-4-(methoxymethyl)tetrahydro-1H-pyrrole-3-carboxamide
S964-0171 Screening compound: (3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)-4-(methoxymethyl)tetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S964-0171
(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)-4-(methoxymethyl)tetrahydro-1H-pyrrole-3-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

S964-0171

Molecular Formula

C23H24F3N3O2 (C23 H24 F3 N3 O2)

Compound Name

(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)-4-(methoxymethyl)tetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

(3R4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(34-dimethylphenyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide

SMILES

Cc(cc1)c(C)cc1NC([C@@H](C1)[C@@H](COC)CN1c(cc1)cc(C(F)(F)F)c1C#N)=O

InChI

InChI=1S/C23H24F3N3O2/c1-14-4-6-18(8-15(14)2)28-22(30)20-12-29(11-17(20)13-31-3)19-7-5-16(10-27)21(9-19)23(24,25)26/h4-9,17,20H,11-13H2,1-3H3,(H,28,30)/t17-,20+/m0/s1

InChI Key

GVEKAPZRNDJEJD-FXAWDEMLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.46

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

4.483

Distribution Coefficient, logD

4.483

Water Solubility, LogSw

-4.36

Polar Surface Area

52.495

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

S964-0171 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)

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 S964-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S964-0171?
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What is the minimum amount of S964-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S964-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S964-0171
  • 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 S964-0171 available by request