C547-0696 Screening compound: 2-(diethylamino)ethyl 4-{2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamido}benzoate

C547-0696 Screening compound: 2-(diethylamino)ethyl 4-{2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamido}benzoate
C547-0696 Screening compound: 2-(diethylamino)ethyl 4-{2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0696
2-(diethylamino)ethyl 4-{2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamido}benzoate

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

C547-0696

Molecular Formula

C26H31N3O5 (C26 H31 N3 O5)

Compound Name

2-(diethylamino)ethyl 4-{2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamido}benzoate

IUPAC name

2-(diethylamino)ethyl 4-{2-[(1-ethyl-2-oxo-12-dihydroquinolin-4-yl)oxy]acetamido}benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1NC(COC(c(cccc1)c1N1CC)=CC1=O)=O)=O

InChI

InChI=1S/C26H31N3O5/c1-4-28(5-2)15-16-33-26(32)19-11-13-20(14-12-19)27-24(30)18-34-23-17-25(31)29(6-3)22-10-8-7-9-21(22)23/h7-14,17H,4-6,15-16,18H2,1-3H3,(H,27,30)

InChI Key

SDIWWTIFLWSCBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.99

Polar Surface Area

70.142

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C547-0696 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C547-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0696?
Check Price and Availability of C547-0696, 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 C547-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0696
  • 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 C547-0696 available by request