C066-4804 Screening compound: 1-{3-[benzyl(butyl)amino]propyl}-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

C066-4804 Screening compound: 1-{3-[benzyl(butyl)amino]propyl}-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
C066-4804 Screening compound: 1-{3-[benzyl(butyl)amino]propyl}-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4804
1-{3-[benzyl(butyl)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

C066-4804

Molecular Formula

C28H38N4O2 (C28 H38 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CCCNC(NC(c1c2cccc1)=CN(CC(C)C)C2=O)=O)Cc1ccccc1

InChI

InChI=1S/C28H38N4O2/c1-4-5-17-31(20-23-12-7-6-8-13-23)18-11-16-29-28(34)30-26-21-32(19-22(2)3)27(33)25-15-10-9-14-24(25)26/h6-10,12-15,21-22H,4-5,11,16-20H2,1-3H3,(H2,29,30,34)

InChI Key

WGENQBIOWKAEOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.727

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-4.26

Polar Surface Area

54.842

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C066-4804 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C066-4804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4804?
Check Price and Availability of C066-4804, 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 C066-4804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4804
  • 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 C066-4804 available by request