C066-0585 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-{3-[ethyl(phenyl)amino]propyl}acetamide

C066-0585 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-{3-[ethyl(phenyl)amino]propyl}acetamide
C066-0585 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-{3-[ethyl(phenyl)amino]propyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0585
2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-{3-[ethyl(phenyl)amino]propyl}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

C066-0585

Molecular Formula

C30H33N5O5 (C30 H33 N5 O5)

Compound Name

2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-{3-[ethyl(phenyl)amino]propyl}acetamide

IUPAC name

2-{[3-(34-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}-N-{3-[ethyl(phenyl)amino]propyl}acetamide

SMILES

CCN(CCCNC(CNC(C(c1c2cccc1)=NN(c(cc1)cc(OC)c1OC)C2=O)=O)=O)c1ccccc1

InChI

InChI=1S/C30H33N5O5/c1-4-34(21-11-6-5-7-12-21)18-10-17-31-27(36)20-32-29(37)28-23-13-8-9-14-24(23)30(38)35(33-28)22-15-16-25(39-2)26(19-22)40-3/h5-9,11-16,19H,4,10,17-18,20H2,1-3H3,(H,31,36)(H,32,37)

InChI Key

HPCKSAFKBMIFMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.72

Polar Surface Area

93.025

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C066-0585 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 C066-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0585?
Check Price and Availability of C066-0585, 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 C066-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0585
  • 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 C066-0585 available by request