C547-0903 Screening compound: N-(3-cyanophenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

C547-0903 Screening compound: N-(3-cyanophenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
C547-0903 Screening compound: N-(3-cyanophenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0903
N-(3-cyanophenyl)-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

C547-0903

Molecular Formula

C21H19N3O3 (C21 H19 N3 O3)

Compound Name

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

IUPAC name

N-(3-cyanophenyl)-4-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)oxy]butanamide

SMILES

CN(c(cccc1)c1C(OCCCC(Nc1cc(C#N)ccc1)=O)=C1)C1=O

InChI

InChI=1S/C21H19N3O3/c1-24-18-9-3-2-8-17(18)19(13-21(24)26)27-11-5-10-20(25)23-16-7-4-6-15(12-16)14-22/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,25)

InChI Key

UJBJZHMZXGYUPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

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

2.285

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-3.24

Polar Surface Area

62.698

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C547-0903 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C547-0903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0903?
Check Price and Availability of C547-0903, 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 C547-0903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0903
  • 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 C547-0903 available by request