C066-0541 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(morpholin-4-yl)propyl]acetamide

C066-0541 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(morpholin-4-yl)propyl]acetamide
C066-0541 Screening compound: 2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(morpholin-4-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0541
2-{[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-yl]formamido}-N-[3-(morpholin-4-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

C066-0541

Molecular Formula

C25H28ClN5O5 (C25 H28 ClN5 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(N1N=C(C(NCC(NCCCN2CCOCC2)=O)=O)c(cccc2)c2C1=O)c1)c1Cl

InChI

InChI=1S/C25H28ClN5O5/c1-35-21-8-7-17(15-20(21)26)31-25(34)19-6-3-2-5-18(19)23(29-31)24(33)28-16-22(32)27-9-4-10-30-11-13-36-14-12-30/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,27,32)(H,28,33)

InChI Key

PCRCXRXHWCAXEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.98

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

1.530

Distribution Coefficient, logD

1.106

Water Solubility, LogSw

-2.89

Polar Surface Area

94.295

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C066-0541 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 C066-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0541?
Check Price and Availability of C066-0541, 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 C066-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0541
  • 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 C066-0541 available by request