C547-0525 Screening compound: 2-[(1-ethyl-2-oxo-1,2-dihydro-4-quinolinyl)oxy]-N-(4-fluorobenzyl)acetamide

C547-0525 Screening compound: 2-[(1-ethyl-2-oxo-1,2-dihydro-4-quinolinyl)oxy]-N-(4-fluorobenzyl)acetamide
C547-0525 Screening compound: 2-[(1-ethyl-2-oxo-1,2-dihydro-4-quinolinyl)oxy]-N-(4-fluorobenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0525
2-[(1-ethyl-2-oxo-1,2-dihydro-4-quinolinyl)oxy]-N-(4-fluorobenzyl)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

C547-0525

Molecular Formula

C20H19FN2O3 (C20 H19 FN2 O3)

Compound Name

2-[(1-ethyl-2-oxo-1,2-dihydro-4-quinolinyl)oxy]-N-(4-fluorobenzyl)acetamide

IUPAC name

2-[(1-ethyl-2-oxo-12-dihydroquinolin-4-yl)oxy]-N-[(4-fluorophenyl)methyl]acetamide

SMILES

CCN(c(cccc1)c1C(OCC(NCc(cc1)ccc1F)=O)=C1)C1=O

InChI

InChI=1S/C20H19FN2O3/c1-2-23-17-6-4-3-5-16(17)18(11-20(23)25)26-13-19(24)22-12-14-7-9-15(21)10-8-14/h3-11H,2,12-13H2,1H3,(H,22,24)

InChI Key

UBFVHJQMCGJWBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.387

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-2.90

Polar Surface Area

47.005

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C547-0525 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C547-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0525?
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What is the minimum amount of C547-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0525
  • 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 C547-0525 available by request