C066-4801 Screening compound: 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

C066-4801 Screening compound: 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
C066-4801 Screening compound: 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4801
1-[(2,4-dimethoxyphenyl)methyl]-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

C066-4801

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

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

IUPAC name

1-[(24-dimethoxyphenyl)methyl]-3-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(NCc(ccc(OC)c1)c1OC)=O)C2=O

InChI

InChI=1S/C23H27N3O4/c1-15(2)13-26-14-20(18-7-5-6-8-19(18)22(26)27)25-23(28)24-12-16-9-10-17(29-3)11-21(16)30-4/h5-11,14-15H,12-13H2,1-4H3,(H2,24,25,28)

InChI Key

UTWQUDDTUJHMTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.392

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-3.84

Polar Surface Area

66.234

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C066-4801 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Nucleic Acid Ligands (8311 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C066-4801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4801?
Check Price and Availability of C066-4801, 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 C066-4801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4801
  • 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 C066-4801 available by request