S954-0153 Screening compound: (3S,4S)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]-4-piperidyl}-1-[2-(4-methyl-1H-pyrazol-1-yl)acetyl]tetrahydro-1H-pyrrole-3-carboxamide

S954-0153 Screening compound: (3S,4S)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]-4-piperidyl}-1-[2-(4-methyl-1H-pyrazol-1-yl)acetyl]tetrahydro-1H-pyrrole-3-carboxamide
S954-0153 Screening compound: (3S,4S)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]-4-piperidyl}-1-[2-(4-methyl-1H-pyrazol-1-yl)acetyl]tetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S954-0153
(3S,4S)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]-4-piperidyl}-1-[2-(4-methyl-1H-pyrazol-1-yl)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

S954-0153

Molecular Formula

C24H27F3N6O2 (C24 H27 F3 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cn(CC(N(C[C@@H]2C(CC3)CCN3c(cc3)cc(C(F)(F)F)c3C#N)C[C@@H]2C(N)=O)=O)nc1

InChI

InChI=1S/C24H27F3N6O2/c1-15-10-30-33(11-15)14-22(34)32-12-19(20(13-32)23(29)35)16-4-6-31(7-5-16)18-3-2-17(9-28)21(8-18)24(25,26)27/h2-3,8,10-11,16,19-20H,4-7,12-14H2,1H3,(H2,29,35)/t19-,20+/m1/s1

InChI Key

WKWBPHJKHNMUMR-UXHICEINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.547

Distribution Coefficient, logD

1.547

Water Solubility, LogSw

-2.73

Polar Surface Area

85.665

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S954-0153 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)

Antibacterial Compounds Library (13827 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Male
  • Skin
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S954-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S954-0153?
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What is the minimum amount of S954-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S954-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S954-0153
  • 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 S954-0153 available by request