C547-0735 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

C547-0735 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
C547-0735 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0735
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

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

C547-0735

Molecular Formula

C22H22N2O5 (C22 H22 N2 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)oxy]butanamide

SMILES

CN(c(cccc1)c1C(OCCCC(Nc(cc1)cc2c1OCCO2)=O)=C1)C1=O

InChI

InChI=1S/C22H22N2O5/c1-24-17-6-3-2-5-16(17)19(14-22(24)26)27-10-4-7-21(25)23-15-8-9-18-20(13-15)29-12-11-28-18/h2-3,5-6,8-9,13-14H,4,7,10-12H2,1H3,(H,23,25)

InChI Key

VDQGWDJNAAYOFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.397

Distribution Coefficient, logD

1.397

Water Solubility, LogSw

-2.43

Polar Surface Area

61.465

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C547-0735 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C547-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0735?
Check Price and Availability of C547-0735, 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 C547-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0735
  • 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 C547-0735 available by request