S829-2349 Screening compound: 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone

S829-2349 Screening compound: 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone
S829-2349 Screening compound: 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-2349
1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone

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

S829-2349

Molecular Formula

C17H26F2N4O2 (C17 H26 F2 N4 O2)

Compound Name

1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone

IUPAC name

1-{4-[(2S)-44-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one

SMILES

Cc1cn(CCC(N(CC2)CCC2N(C2)[C@H](CO)CC2(F)F)=O)nc1

InChI

InChI=1S/C17H26F2N4O2/c1-13-9-20-22(10-13)7-4-16(25)21-5-2-14(3-6-21)23-12-17(18,19)8-15(23)11-24/h9-10,14-15,24H,2-8,11-12H2,1H3/t15-/m1/s1

InChI Key

SYRVVSDOVMYGRS-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.816

Distribution Coefficient, logD

0.698

Water Solubility, LogSw

-0.73

Polar Surface Area

51.269

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

S829-2349 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

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

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S829-2349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-2349?
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What is the minimum amount of S829-2349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-2349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-2349
  • 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 S829-2349 available by request