C066-0563 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

C066-0563 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
C066-0563 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0563
2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(4-methylpiperazin-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

C066-0563

Molecular Formula

C26H31ClN6O4 (C26 H31 ClN6 O4)

Compound Name

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

IUPAC name

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

SMILES

CN1CCN(CCCNC(CNC(C(c2c3cccc2)=NN(c(cc2)cc(Cl)c2OC)C3=O)=O)=O)CC1

InChI

InChI=1S/C26H31ClN6O4/c1-31-12-14-32(15-13-31)11-5-10-28-23(34)17-29-25(35)24-19-6-3-4-7-20(19)26(36)33(30-24)18-8-9-22(37-2)21(27)16-18/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,28,34)(H,29,35)

InChI Key

FJPPQOWBUXNNJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.443

Distribution Coefficient, logD

0.238

Water Solubility, LogSw

-2.89

Polar Surface Area

89.863

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with C066-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0563?
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What is the minimum amount of C066-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0563
  • 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 C066-0563 available by request