C066-0659 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C066-0659 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
C066-0659 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0659
2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[2-(3,4-dimethoxyphenyl)ethyl]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

C066-0659

Molecular Formula

C29H30N4O7 (C29 H30 N4 O7)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(CNC(C(c1c2cccc1)=NN(c(cc1)cc(OC)c1OC)C2=O)=O)=O)c1)c1OC

InChI

InChI=1S/C29H30N4O7/c1-37-22-11-9-18(15-24(22)39-3)13-14-30-26(34)17-31-28(35)27-20-7-5-6-8-21(20)29(36)33(32-27)19-10-12-23(38-2)25(16-19)40-4/h5-12,15-16H,13-14,17H2,1-4H3,(H,30,34)(H,31,35)

InChI Key

RSAICAWTCLOOFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.067

Distribution Coefficient, logD

2.067

Water Solubility, LogSw

-3.00

Polar Surface Area

105.296

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C066-0659 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0659?
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What is the minimum amount of C066-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0659
  • 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 C066-0659 available by request