S570-0578 Screening compound: 2-(4-FLUOROPHENOXY)-N-{[1-(2-METHOXYETHYL)-2-OXO-1,3,4,5,6,7-HEXAHYDRO-4(2H)-QUINOLINYL]METHYL}ACETAMIDE

S570-0578 Screening compound: 2-(4-FLUOROPHENOXY)-N-{[1-(2-METHOXYETHYL)-2-OXO-1,3,4,5,6,7-HEXAHYDRO-4(2H)-QUINOLINYL]METHYL}ACETAMIDE
S570-0578 Screening compound: 2-(4-FLUOROPHENOXY)-N-{[1-(2-METHOXYETHYL)-2-OXO-1,3,4,5,6,7-HEXAHYDRO-4(2H)-QUINOLINYL]METHYL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S570-0578
2-(4-FLUOROPHENOXY)-N-{[1-(2-METHOXYETHYL)-2-OXO-1,3,4,5,6,7-HEXAHYDRO-4(2H)-QUINOLINYL]METHYL}ACETAMIDE

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

S570-0578

Molecular Formula

C21H27FN2O4 (C21 H27 FN2 O4)

Compound Name

2-(4-FLUOROPHENOXY)-N-{[1-(2-METHOXYETHYL)-2-OXO-1,3,4,5,6,7-HEXAHYDRO-4(2H)-QUINOLINYL]METHYL}ACETAMIDE

IUPAC name

n/a

SMILES

COCCN1C2=CCCCC2(CNC(COc(cc2)ccc2F)=O)CCC1=O

InChI

InChI=1S/C21H27FN2O4/c1-27-13-12-24-18-4-2-3-10-21(18,11-9-20(24)26)15-23-19(25)14-28-17-7-5-16(22)6-8-17/h4-8H,2-3,9-15H2,1H3,(H,23,25)/t21-/m0/s1

InChI Key

CQOXIWHVRGGIEY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29014877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-3.20

Polar Surface Area

55.921

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

S570-0578 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S570-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S570-0578?
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What is the minimum amount of S570-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S570-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S570-0578
  • 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 S570-0578 available by request