S570-0461 Screening compound: N-{[1-(CYCLOPROPYLMETHYL)-2-OXO-1,2,3,4,4A,5,6,7-OCTAHYDROQUINOLIN-4A-YL]METHYL}-3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPANAMIDE

S570-0461 Screening compound: N-{[1-(CYCLOPROPYLMETHYL)-2-OXO-1,2,3,4,4A,5,6,7-OCTAHYDROQUINOLIN-4A-YL]METHYL}-3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPANAMIDE
S570-0461 Screening compound: N-{[1-(CYCLOPROPYLMETHYL)-2-OXO-1,2,3,4,4A,5,6,7-OCTAHYDROQUINOLIN-4A-YL]METHYL}-3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0461
N-{[1-(CYCLOPROPYLMETHYL)-2-OXO-1,2,3,4,4A,5,6,7-OCTAHYDROQUINOLIN-4A-YL]METHYL}-3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)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

S570-0461

Molecular Formula

C22H32N4O2 (C22 H32 N4 O2)

Compound Name

N-{[1-(CYCLOPROPYLMETHYL)-2-OXO-1,2,3,4,4A,5,6,7-OCTAHYDROQUINOLIN-4A-YL]METHYL}-3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PROPANAMIDE

IUPAC name

n/a

SMILES

Cc1cc(C)nn1CCC(NCC1(CCC(N2CC3CC3)=O)C2=CCCC1)=O

InChI

InChI=1S/C22H32N4O2/c1-16-13-17(2)26(24-16)12-9-20(27)23-15-22-10-4-3-5-19(22)25(14-18-6-7-18)21(28)8-11-22/h5,13,18H,3-4,6-12,14-15H2,1-2H3,(H,23,27)/t22-/m0/s1

InChI Key

DWTZQXZHRIPZGX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD29014873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

2.482

Water Solubility, LogSw

-2.51

Polar Surface Area

54.338

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

S570-0461 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S570-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0461?
Check Price and Availability of S570-0461, 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 S570-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0461
  • 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 S570-0461 available by request