C066-0113 Screening compound: N-benzyl-2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-methylacetamide

C066-0113 Screening compound: N-benzyl-2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-methylacetamide
C066-0113 Screening compound: N-benzyl-2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0113
N-benzyl-2-{[3-(2,4-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

C066-0113

Molecular Formula

C27H26N4O5 (C27 H26 N4 O5)

Compound Name

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

IUPAC name

N-benzyl-2-{[3-(24-dimethoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CNC(C(c1c2cccc1)=NN(c(ccc(OC)c1)c1OC)C2=O)=O)=O

InChI

InChI=1S/C27H26N4O5/c1-30(17-18-9-5-4-6-10-18)24(32)16-28-26(33)25-20-11-7-8-12-21(20)27(34)31(29-25)22-14-13-19(35-2)15-23(22)36-3/h4-15H,16-17H2,1-3H3,(H,28,33)

InChI Key

RKILEUNFWRZUTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.84

Polar Surface Area

81.229

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C066-0113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Aurora A-B Kinases Targeted Library (9426 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
  • Pool
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0113?
Check Price and Availability of C066-0113, 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 C066-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0113
  • 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 C066-0113 available by request