S570-0448 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}cyclopropanecarboxamide

S570-0448 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}cyclopropanecarboxamide
S570-0448 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0448
N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}cyclopropanecarboxamide

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

S570-0448

Molecular Formula

C18H26N2O2 (C18 H26 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CC1)NCC1(CCC(N2CC3CC3)=O)C2=CCCC1

InChI

InChI=1S/C18H26N2O2/c21-16-8-10-18(12-19-17(22)14-6-7-14)9-2-1-3-15(18)20(16)11-13-4-5-13/h3,13-14H,1-2,4-12H2,(H,19,22)/t18-/m0/s1

InChI Key

DLKFNDUKLHXUDQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31979753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.42

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

2.951

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.03

Polar Surface Area

41.089

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

S570-0448 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 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
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S570-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0448?
Check Price and Availability of S570-0448, 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 S570-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0448
  • 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 S570-0448 available by request