C547-0823 Screening compound: 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-[3-(pyrrolidin-1-yl)propyl]butanamide

C547-0823 Screening compound: 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-[3-(pyrrolidin-1-yl)propyl]butanamide
C547-0823 Screening compound: 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-[3-(pyrrolidin-1-yl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0823
4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-[3-(pyrrolidin-1-yl)propyl]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

C547-0823

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(c(cccc1)c1C(OCCCC(NCCCN1CCCC1)=O)=C1)C1=O

InChI

InChI=1S/C21H29N3O3/c1-23-18-9-3-2-8-17(18)19(16-21(23)26)27-15-6-10-20(25)22-11-7-14-24-12-4-5-13-24/h2-3,8-9,16H,4-7,10-15H2,1H3,(H,22,25)

InChI Key

ROBFGPCETJSWEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.904

Distribution Coefficient, logD

-2.187

Water Solubility, LogSw

-2.25

Polar Surface Area

51.154

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C547-0823 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C547-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0823?
Check Price and Availability of C547-0823, 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 C547-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0823
  • 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 C547-0823 available by request