C547-0513 Screening compound: 2-[(1-ETHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINYL)OXY]-N-(2-METHOXYBENZYL)ACETAMIDE

C547-0513 Screening compound: 2-[(1-ETHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINYL)OXY]-N-(2-METHOXYBENZYL)ACETAMIDE
C547-0513 Screening compound: 2-[(1-ETHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINYL)OXY]-N-(2-METHOXYBENZYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0513
2-[(1-ETHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINYL)OXY]-N-(2-METHOXYBENZYL)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

C547-0513

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

2-[(1-ETHYL-2-OXO-1,2-DIHYDRO-4-QUINOLINYL)OXY]-N-(2-METHOXYBENZYL)ACETAMIDE

IUPAC name

n/a

SMILES

CCN(c(cccc1)c1C(OCC(NCc(cccc1)c1OC)=O)=C1)C1=O

InChI

InChI=1S/C21H22N2O4/c1-3-23-17-10-6-5-9-16(17)19(12-21(23)25)27-14-20(24)22-13-15-8-4-7-11-18(15)26-2/h4-12H,3,13-14H2,1-2H3,(H,22,24)

InChI Key

OPBKPHSMSQXVOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-3.06

Polar Surface Area

54.635

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C547-0513 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C547-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0513?
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What is the minimum amount of C547-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0513
  • 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 C547-0513 available by request