S829-2367 Screening compound: 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-2-(3-fluorophenyl)-1-ethanone

S829-2367 Screening compound: 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-2-(3-fluorophenyl)-1-ethanone
S829-2367 Screening compound: 1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-2-(3-fluorophenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-2367
1-{4-[(2S)-4,4-difluoro-2-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}-2-(3-fluorophenyl)-1-ethanone

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

S829-2367

Molecular Formula

C18H23F3N2O2 (C18 H23 F3 N2 O2)

Compound Name

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

IUPAC name

n/a

SMILES

OC[C@H](CC(C1)(F)F)N1C(CC1)CCN1C(Cc1cccc(F)c1)=O

InChI

InChI=1S/C18H23F3N2O2/c19-14-3-1-2-13(8-14)9-17(25)22-6-4-15(5-7-22)23-12-18(20,21)10-16(23)11-24/h1-3,8,15-16,24H,4-7,9-12H2/t16-/m0/s1

InChI Key

CNFAKTDREXDLNM-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.387

Distribution Coefficient, logD

2.268

Water Solubility, LogSw

-2.55

Polar Surface Area

36.514

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

S829-2367 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S829-2367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-2367?
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What is the minimum amount of S829-2367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-2367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-2367
  • 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 S829-2367 available by request