S954-0043 Screening compound: (3S,4S)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]-4-piperidyl}-1-[2-(3-thienyl)acetyl]tetrahydro-1H-pyrrole-3-carboxamide

S954-0043 Screening compound: (3S,4S)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]-4-piperidyl}-1-[2-(3-thienyl)acetyl]tetrahydro-1H-pyrrole-3-carboxamide
S954-0043 Screening compound: (3S,4S)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]-4-piperidyl}-1-[2-(3-thienyl)acetyl]tetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S954-0043
(3S,4S)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]-4-piperidyl}-1-[2-(3-thienyl)acetyl]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

S954-0043

Molecular Formula

C24H25F3N4O2S (C24 H25 F3 N4 O2 S)

Compound Name

(3S,4S)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]-4-piperidyl}-1-[2-(3-thienyl)acetyl]tetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

(3S4S)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[2-(thiophen-3-yl)acetyl]pyrrolidine-3-carboxamide

SMILES

NC([C@@H](CN(C1)C(Cc2cscc2)=O)[C@H]1C(CC1)CCN1c(cc1)cc(C(F)(F)F)c1C#N)=O

InChI

InChI=1S/C24H25F3N4O2S/c25-24(26,27)21-10-18(2-1-17(21)11-28)30-6-3-16(4-7-30)19-12-31(13-20(19)23(29)33)22(32)9-15-5-8-34-14-15/h1-2,5,8,10,14,16,19-20H,3-4,6-7,9,12-13H2,(H2,29,33)/t19-,20+/m0/s1

InChI Key

FIOQYLCNQDZWHF-VQTJNVASSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.36

Polar Surface Area

71.907

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.83

S954-0043 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)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S954-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S954-0043?
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What is the minimum amount of S954-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S954-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S954-0043
  • 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 S954-0043 available by request