S579-0417 Screening compound: 2-[1-(2-methoxyethyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

S579-0417 Screening compound: 2-[1-(2-methoxyethyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
S579-0417 Screening compound: 2-[1-(2-methoxyethyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S579-0417
2-[1-(2-methoxyethyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]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

S579-0417

Molecular Formula

C20H31N3O4 (C20 H31 N3 O4)

Compound Name

2-[1-(2-methoxyethyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

IUPAC name

n/a

SMILES

COCCN(C(CCCC1)C1=C1CC(NCCCN(CCC2)C2=O)=O)C1=O

InChI

InChI=1S/C20H31N3O4/c1-27-13-12-23-17-7-3-2-6-15(17)16(20(23)26)14-18(24)21-9-5-11-22-10-4-8-19(22)25/h17H,2-14H2,1H3,(H,21,24)/t17-/m1/s1

InChI Key

BKTKYFNZUXZYFP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31973555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.227

Distribution Coefficient, logD

-0.227

Water Solubility, LogSw

-0.74

Polar Surface Area

66.399

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S579-0417 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S579-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S579-0417?
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What is the minimum amount of S579-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S579-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S579-0417
  • 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 S579-0417 available by request