S570-0628 Screening compound: 3,4-dimethoxy-N-{[1-(2-methoxyethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}benzamide

S570-0628 Screening compound: 3,4-dimethoxy-N-{[1-(2-methoxyethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}benzamide
S570-0628 Screening compound: 3,4-dimethoxy-N-{[1-(2-methoxyethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0628
3,4-dimethoxy-N-{[1-(2-methoxyethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}benzamide

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

S570-0628

Molecular Formula

C22H30N2O5 (C22 H30 N2 O5)

Compound Name

3,4-dimethoxy-N-{[1-(2-methoxyethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}benzamide

IUPAC name

34-dimethoxy-N-{[1-(2-methoxyethyl)-2-oxo-12344a567-octahydroquinolin-4a-yl]methyl}benzamide

SMILES

COCCN1C2=CCCCC2(CNC(c(cc2)cc(OC)c2OC)=O)CCC1=O

InChI

InChI=1S/C22H30N2O5/c1-27-13-12-24-19-6-4-5-10-22(19,11-9-20(24)25)15-23-21(26)16-7-8-17(28-2)18(14-16)29-3/h6-8,14H,4-5,9-13,15H2,1-3H3,(H,23,26)/t22-/m0/s1

InChI Key

KTRZRJUOFOMZPE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31977798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.508

Water Solubility, LogSw

-2.82

Polar Surface Area

63.896

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

S570-0628 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
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 S570-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0628?
Check Price and Availability of S570-0628, 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 S570-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0628
  • 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 S570-0628 available by request