S579-0041 Screening compound: N-(2,5-dimethoxyphenyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide

S579-0041 Screening compound: N-(2,5-dimethoxyphenyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide
S579-0041 Screening compound: N-(2,5-dimethoxyphenyl)-2-(2-oxo-2,4,5,6,7,7a-hexahydro-1H-indol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S579-0041
N-(2,5-dimethoxyphenyl)-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

S579-0041

Molecular Formula

C18H22N2O4 (C18 H22 N2 O4)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-2-(2-oxo-245677a-hexahydro-1H-indol-3-yl)acetamide

SMILES

COc(cc1)cc(NC(CC2=C(CCCC3)C3NC2=O)=O)c1OC

InChI

InChI=1S/C18H22N2O4/c1-23-11-7-8-16(24-2)15(9-11)19-17(21)10-13-12-5-3-4-6-14(12)20-18(13)22/h7-9,14H,3-6,10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m1/s1

InChI Key

XXYVQJHCCHRRQT-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31977577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.810

Distribution Coefficient, logD

1.810

Water Solubility, LogSw

-2.29

Polar Surface Area

63.638

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S579-0041 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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 S579-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S579-0041?
Check Price and Availability of S579-0041, 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 S579-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S579-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S579-0041
  • 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 S579-0041 available by request