C547-0689 Screening compound: N-[(2-CHLORO-4-FLUOROPHENYL)METHYL]-2-[(1-ETHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-YL)OXY]ACETAMIDE

C547-0689 Screening compound: N-[(2-CHLORO-4-FLUOROPHENYL)METHYL]-2-[(1-ETHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-YL)OXY]ACETAMIDE
C547-0689 Screening compound: N-[(2-CHLORO-4-FLUOROPHENYL)METHYL]-2-[(1-ETHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-YL)OXY]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0689
N-[(2-CHLORO-4-FLUOROPHENYL)METHYL]-2-[(1-ETHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-YL)OXY]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

C547-0689

Molecular Formula

C20H18ClFN2O3 (C20 H18 ClFN2 O3)

Compound Name

N-[(2-CHLORO-4-FLUOROPHENYL)METHYL]-2-[(1-ETHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-YL)OXY]ACETAMIDE

IUPAC name

n/a

SMILES

CCN(c(cccc1)c1C(OCC(NCc(ccc(F)c1)c1Cl)=O)=C1)C1=O

InChI

InChI=1S/C20H18ClFN2O3/c1-2-24-17-6-4-3-5-15(17)18(10-20(24)26)27-12-19(25)23-11-13-7-8-14(22)9-16(13)21/h3-10H,2,11-12H2,1H3,(H,23,25)

InChI Key

NLCKIWGGWGGFMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.83

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

3.381

Distribution Coefficient, logD

3.381

Water Solubility, LogSw

-3.75

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

C547-0689 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C547-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0689?
Check Price and Availability of C547-0689, 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 C547-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0689
  • 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 C547-0689 available by request