C066-4157 Screening compound: 3-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-1-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

C066-4157 Screening compound: 3-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-1-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
C066-4157 Screening compound: 3-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-1-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4157
3-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-1-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

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

C066-4157

Molecular Formula

C24H30N4O3 (C24 H30 N4 O3)

Compound Name

3-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-1-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

IUPAC name

3-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-1-(2-methyl-1-oxo-12-dihydroisoquinolin-4-yl)urea

SMILES

CN(C=C(c1c2cccc1)NC(NCCCN(Cc1ccco1)C1CCCC1)=O)C2=O

InChI

InChI=1S/C24H30N4O3/c1-27-17-22(20-11-4-5-12-21(20)23(27)29)26-24(30)25-13-7-14-28(18-8-2-3-9-18)16-19-10-6-15-31-19/h4-6,10-12,15,17-18H,2-3,7-9,13-14,16H2,1H3,(H2,25,26,30)

InChI Key

VSPYLCMGNLWVOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.367

Distribution Coefficient, logD

1.217

Water Solubility, LogSw

-3.10

Polar Surface Area

61.558

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C066-4157 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-4157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4157?
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What is the minimum amount of C066-4157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4157
  • 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 C066-4157 available by request