C066-0819 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-methylacetamide

C066-0819 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-methylacetamide
C066-0819 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0819
N-(5-chloro-2-methylphenyl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-methylacetamide

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

C066-0819

Molecular Formula

C27H25ClN4O5 (C27 H25 ClN4 O5)

Compound Name

N-(5-chloro-2-methylphenyl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-methylacetamide

IUPAC name

N-(5-chloro-2-methylphenyl)-2-{[3-(34-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}-N-methylacetamide

SMILES

Cc(ccc(Cl)c1)c1N(C)C(CNC(C(c1c2cccc1)=NN(c(cc1)cc(OC)c1OC)C2=O)=O)=O

InChI

InChI=1S/C27H25ClN4O5/c1-16-9-10-17(28)13-21(16)31(2)24(33)15-29-26(34)25-19-7-5-6-8-20(19)27(35)32(30-25)18-11-12-22(36-3)23(14-18)37-4/h5-14H,15H2,1-4H3,(H,29,34)

InChI Key

SOTZMYBHVTYZGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.01

Polar Surface Area

80.534

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C066-0819 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0819?
Check Price and Availability of C066-0819, 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 C066-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0819
  • 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 C066-0819 available by request