C066-4800 Screening compound: 1-{3-[methyl(phenyl)amino]propyl}-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

C066-4800 Screening compound: 1-{3-[methyl(phenyl)amino]propyl}-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
C066-4800 Screening compound: 1-{3-[methyl(phenyl)amino]propyl}-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4800
1-{3-[methyl(phenyl)amino]propyl}-3-[2-(2-methylpropyl)-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

C066-4800

Molecular Formula

C24H30N4O2 (C24 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(NCCCN(C)c1ccccc1)=O)C2=O

InChI

InChI=1S/C24H30N4O2/c1-18(2)16-28-17-22(20-12-7-8-13-21(20)23(28)29)26-24(30)25-14-9-15-27(3)19-10-5-4-6-11-19/h4-8,10-13,17-18H,9,14-16H2,1-3H3,(H2,25,26,30)

InChI Key

WPPJVZANVLFRBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.71

Polar Surface Area

54.106

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C066-4800 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-4800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4800?
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What is the minimum amount of C066-4800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4800
  • 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 C066-4800 available by request