S570-0485 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}oxane-4-carboxamide

S570-0485 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}oxane-4-carboxamide
S570-0485 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}oxane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0485
N-{[1-(cyclopropylmethyl)-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-4a-yl]methyl}oxane-4-carboxamide

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

S570-0485

Molecular Formula

C20H30N2O3 (C20 H30 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCOCC1)NCC1(CCC(N2CC3CC3)=O)C2=CCCC1

InChI

InChI=1S/C20H30N2O3/c23-18-6-10-20(14-21-19(24)16-7-11-25-12-8-16)9-2-1-3-17(20)22(18)13-15-4-5-15/h3,15-16H,1-2,4-14H2,(H,21,24)/t20-/m0/s1

InChI Key

WWHYVBFZTLPZJW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31990583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-2.62

Polar Surface Area

48.667

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

S570-0485 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S570-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0485?
Check Price and Availability of S570-0485, 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 S570-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0485
  • 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 S570-0485 available by request