S579-0506 Screening compound: 2-[1-(2-methoxyethyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]-N-methylacetamide

S579-0506 Screening compound: 2-[1-(2-methoxyethyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]-N-methylacetamide
S579-0506 Screening compound: 2-[1-(2-methoxyethyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S579-0506
2-[1-(2-methoxyethyl)-2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl]-N-methylacetamide

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

S579-0506

Molecular Formula

C14H22N2O3 (C14 H22 N2 O3)

Compound Name

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

IUPAC name

2-[1-(2-methoxyethyl)-2-oxo-245677a-hexahydro-1H-indol-3-yl]-N-methylacetamide

SMILES

CNC(CC1=C(CCCC2)C2N(CCOC)C1=O)=O

InChI

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

InChI Key

WJLDYMLHFDBEBF-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD31982130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.427

Distribution Coefficient, logD

0.427

Water Solubility, LogSw

-1.03

Polar Surface Area

49.467

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

S579-0506 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 S579-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S579-0506?
Check Price and Availability of S579-0506, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S579-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S579-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S579-0506
  • 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 S579-0506 available by request