S954-5070 Screening compound: (3S,4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}tetrahydro-1H-pyrrole-3-carboxamide

S954-5070 Screening compound: (3S,4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}tetrahydro-1H-pyrrole-3-carboxamide
S954-5070 Screening compound: (3S,4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}tetrahydro-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S954-5070
(3S,4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}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

S954-5070

Molecular Formula

C23H24F3N5O3 (C23 H24 F3 N5 O3)

Compound Name

(3S,4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}tetrahydro-1H-pyrrole-3-carboxamide

IUPAC name

(3S4S)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(4-methyl-13-oxazole-5-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

SMILES

Cc1c(C(N(CC2)CCC2[C@@H](CN(C2)c(cc3)cc(C(F)(F)F)c3C#N)[C@H]2C(N)=O)=O)ocn1

InChI

InChI=1S/C23H24F3N5O3/c1-13-20(34-12-29-13)22(33)30-6-4-14(5-7-30)17-10-31(11-18(17)21(28)32)16-3-2-15(9-27)19(8-16)23(24,25)26/h2-3,8,12,14,17-18H,4-7,10-11H2,1H3,(H2,28,32)/t17-,18+/m0/s1

InChI Key

BUUBAYHSZAOTPA-ZWKOTPCHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.629

Distribution Coefficient, logD

1.629

Water Solubility, LogSw

-2.78

Polar Surface Area

90.330

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.83

S954-5070 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)

Peptidomimetic Library (37031 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S954-5070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S954-5070?
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What is the minimum amount of S954-5070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S954-5070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S954-5070
  • 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 S954-5070 available by request