S579-0268 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

S579-0268 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide
S579-0268 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S579-0268
N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

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

S579-0268

Molecular Formula

C24H32FN3O2 (C24 H32 FN3 O2)

Compound Name

N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

IUPAC name

N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-methyl-2-oxo-245677a-hexahydro-1H-indol-3-yl)acetamide

SMILES

CN(C(CCCC1)C1=C1CC(NCC2CCN(Cc(cccc3)c3F)CC2)=O)C1=O

InChI

InChI=1S/C24H32FN3O2/c1-27-22-9-5-3-7-19(22)20(24(27)30)14-23(29)26-15-17-10-12-28(13-11-17)16-18-6-2-4-8-21(18)25/h2,4,6,8,17,22H,3,5,7,9-16H2,1H3,(H,26,29)/t22-/m1/s1

InChI Key

IZINYVXSMXCOCH-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD29012327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.695

Distribution Coefficient, logD

0.905

Water Solubility, LogSw

-2.86

Polar Surface Area

44.222

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

S579-0268 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S579-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S579-0268?
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What is the minimum amount of S579-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S579-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S579-0268
  • 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 S579-0268 available by request