S829-2387 Screening compound: {4-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]PIPERIDINO}(3,5-DIMETHYLPHENYL)METHANONE

S829-2387 Screening compound: {4-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]PIPERIDINO}(3,5-DIMETHYLPHENYL)METHANONE
S829-2387 Screening compound: {4-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]PIPERIDINO}(3,5-DIMETHYLPHENYL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-2387
{4-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]PIPERIDINO}(3,5-DIMETHYLPHENYL)METHANONE

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

S829-2387

Molecular Formula

C19H26F2N2O2 (C19 H26 F2 N2 O2)

Compound Name

{4-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]PIPERIDINO}(3,5-DIMETHYLPHENYL)METHANONE

IUPAC name

[(2S)-1-[1-(35-dimethylbenzoyl)piperidin-4-yl]-44-difluoropyrrolidin-2-yl]methanol

SMILES

Cc1cc(C(N(CC2)CCC2N(C2)[C@H](CO)CC2(F)F)=O)cc(C)c1

InChI

InChI=1S/C19H26F2N2O2/c1-13-7-14(2)9-15(8-13)18(25)22-5-3-16(4-6-22)23-12-19(20,21)10-17(23)11-24/h7-9,16-17,24H,3-6,10-12H2,1-2H3/t17-/m1/s1

InChI Key

GAVWAZAUNZIZIT-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.724

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-2.64

Polar Surface Area

37.041

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S829-2387 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S829-2387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-2387?
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What is the minimum amount of S829-2387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-2387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-2387
  • 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 S829-2387 available by request