C547-0863 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

C547-0863 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
C547-0863 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0863
N-[2-(3,4-diethoxyphenyl)ethyl]-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

C547-0863

Molecular Formula

C26H32N2O5 (C26 H32 N2 O5)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-4-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)oxy]butanamide

SMILES

CCOc(ccc(CCNC(CCCOC(c(cccc1)c1N1C)=CC1=O)=O)c1)c1OCC

InChI

InChI=1S/C26H32N2O5/c1-4-31-22-13-12-19(17-24(22)32-5-2)14-15-27-25(29)11-8-16-33-23-18-26(30)28(3)21-10-7-6-9-20(21)23/h6-7,9-10,12-13,17-18H,4-5,8,11,14-16H2,1-3H3,(H,27,29)

InChI Key

PFXYYCJCEGQCBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.907

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-2.84

Polar Surface Area

61.226

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C547-0863 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C547-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0863?
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What is the minimum amount of C547-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0863
  • 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 C547-0863 available by request