C066-0662 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(4-ethoxyphenyl)acetamide

C066-0662 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(4-ethoxyphenyl)acetamide
C066-0662 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0662
2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(4-ethoxyphenyl)acetamide

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

C066-0662

Molecular Formula

C27H26N4O6 (C27 H26 N4 O6)

Compound Name

2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-{[3-(34-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CNC(C(c1c2cccc1)=NN(c(cc1)cc(OC)c1OC)C2=O)=O)=O

InChI

InChI=1S/C27H26N4O6/c1-4-37-19-12-9-17(10-13-19)29-24(32)16-28-26(33)25-20-7-5-6-8-21(20)27(34)31(30-25)18-11-14-22(35-2)23(15-18)36-3/h5-15H,4,16H2,1-3H3,(H,28,33)(H,29,32)

InChI Key

ZOSMWHAANRLDMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.322

Distribution Coefficient, logD

3.322

Water Solubility, LogSw

-3.79

Polar Surface Area

95.995

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C066-0662 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C066-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0662?
Check Price and Availability of C066-0662, 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 C066-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0662
  • 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 C066-0662 available by request