S570-0468 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}propanamide

S570-0468 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}propanamide
S570-0468 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0468
N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}propanamide

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

S570-0468

Molecular Formula

C17H26N2O2 (C17 H26 N2 O2)

Compound Name

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

IUPAC name

N-{[1-(cyclopropylmethyl)-2-oxo-12344a567-octahydroquinolin-4a-yl]methyl}propanamide

SMILES

CCC(NCC1(CCC(N2CC3CC3)=O)C2=CCCC1)=O

InChI

InChI=1S/C17H26N2O2/c1-2-15(20)18-12-17-9-4-3-5-14(17)19(11-13-6-7-13)16(21)8-10-17/h5,13H,2-4,6-12H2,1H3,(H,18,20)/t17-/m0/s1

InChI Key

XSWOXLYRSLEEAH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31985825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-2.99

Polar Surface Area

40.624

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

S570-0468 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S570-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0468?
Check Price and Availability of S570-0468, 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 S570-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0468
  • 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 S570-0468 available by request