C066-0552 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide

C066-0552 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
C066-0552 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0552
2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(3,5-dimethylpiperidin-1-yl)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

C066-0552

Molecular Formula

C28H34ClN5O4 (C28 H34 ClN5 O4)

Compound Name

2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide

IUPAC name

2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-34-dihydrophthalazin-1-yl]formamido}-N-[3-(35-dimethylpiperidin-1-yl)propyl]acetamide

SMILES

CC1CN(CCCNC(CNC(C(c2c3cccc2)=NN(c(cc2)cc(Cl)c2OC)C3=O)=O)=O)CC(C)C1

InChI

InChI=1S/C28H34ClN5O4/c1-18-13-19(2)17-33(16-18)12-6-11-30-25(35)15-31-27(36)26-21-7-4-5-8-22(21)28(37)34(32-26)20-9-10-24(38-3)23(29)14-20/h4-5,7-10,14,18-19H,6,11-13,15-17H2,1-3H3,(H,30,35)(H,31,36)

InChI Key

IVFDCIHOGSKUPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

0.871

Water Solubility, LogSw

-3.78

Polar Surface Area

86.254

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

C066-0552 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C066-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0552?
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What is the minimum amount of C066-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0552
  • 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 C066-0552 available by request