S570-0038 Screening compound: N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-2-phenylacetamide

S570-0038 Screening compound: N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-2-phenylacetamide
S570-0038 Screening compound: N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0038
N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-2-phenylacetamide

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

S570-0038

Molecular Formula

C18H22N2O2 (C18 H22 N2 O2)

Compound Name

N-[(2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl)methyl]-2-phenylacetamide

IUPAC name

N-[(2-oxo-12344a567-octahydroquinolin-4a-yl)methyl]-2-phenylacetamide

SMILES

O=C(Cc1ccccc1)NCC1(CCC(N2)=O)C2=CCCC1

InChI

InChI=1S/C18H22N2O2/c21-16-9-11-18(10-5-4-8-15(18)20-16)13-19-17(22)12-14-6-2-1-3-7-14/h1-3,6-8H,4-5,9-13H2,(H,19,22)(H,20,21)/t18-/m0/s1

InChI Key

HBMRZGKOBQQGKA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31986509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.335

Distribution Coefficient, logD

2.335

Water Solubility, LogSw

-2.76

Polar Surface Area

49.592

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S570-0038 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S570-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0038?
Check Price and Availability of S570-0038, 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 S570-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0038
  • 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 S570-0038 available by request