S579-0047 Screening compound: N-(3-methoxypropyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

S579-0047 Screening compound: N-(3-methoxypropyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide
S579-0047 Screening compound: N-(3-methoxypropyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S579-0047
N-(3-methoxypropyl)-2-(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

S579-0047

Molecular Formula

C14H22N2O3 (C14 H22 N2 O3)

Compound Name

N-(3-methoxypropyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

IUPAC name

N-(3-methoxypropyl)-2-(2-oxo-245677a-hexahydro-1H-indol-3-yl)acetamide

SMILES

COCCCNC(CC1=C(CCCC2)C2NC1=O)=O

InChI

InChI=1S/C14H22N2O3/c1-19-8-4-7-15-13(17)9-11-10-5-2-3-6-12(10)16-14(11)18/h12H,2-9H2,1H3,(H,15,17)(H,16,18)/t12-/m1/s1

InChI Key

PAEGAWZYDSUPOW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD31975819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.323

Distribution Coefficient, logD

0.323

Water Solubility, LogSw

-0.79

Polar Surface Area

58.939

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

S579-0047 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S579-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S579-0047?
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What is the minimum amount of S579-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S579-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S579-0047
  • 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 S579-0047 available by request