C066-4798 Screening compound: 3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(3-phenylpropyl)urea

C066-4798 Screening compound: 3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(3-phenylpropyl)urea
C066-4798 Screening compound: 3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(3-phenylpropyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4798
3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(3-phenylpropyl)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

C066-4798

Molecular Formula

C23H27N3O2 (C23 H27 N3 O2)

Compound Name

3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(3-phenylpropyl)urea

IUPAC name

3-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]-1-(3-phenylpropyl)urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(NCCCc1ccccc1)=O)C2=O

InChI

InChI=1S/C23H27N3O2/c1-17(2)15-26-16-21(19-12-6-7-13-20(19)22(26)27)25-23(28)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,16-17H,8,11,14-15H2,1-2H3,(H2,24,25,28)

InChI Key

LXPPGTAPVZDOLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.324

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.36

Polar Surface Area

50.902

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C066-4798 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C066-4798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4798?
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What is the minimum amount of C066-4798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4798
  • 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 C066-4798 available by request