C066-0572 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[2-(morpholin-4-yl)ethyl]acetamide

C066-0572 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[2-(morpholin-4-yl)ethyl]acetamide
C066-0572 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[2-(morpholin-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0572
2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[2-(morpholin-4-yl)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

C066-0572

Molecular Formula

C25H29N5O6 (C25 H29 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(N1N=C(C(NCC(NCCN2CCOCC2)=O)=O)c(cccc2)c2C1=O)c1)c1OC

InChI

InChI=1S/C25H29N5O6/c1-34-20-8-7-17(15-21(20)35-2)30-25(33)19-6-4-3-5-18(19)23(28-30)24(32)27-16-22(31)26-9-10-29-11-13-36-14-12-29/h3-8,15H,9-14,16H2,1-2H3,(H,26,31)(H,27,32)

InChI Key

LECAPXRNDKSREA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.689

Distribution Coefficient, logD

0.641

Water Solubility, LogSw

-2.36

Polar Surface Area

101.926

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C066-0572 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0572?
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What is the minimum amount of C066-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0572
  • 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 C066-0572 available by request