4418-0010 Screening compound: 4-[2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido]phenyl 4-methoxybenzoate

4418-0010 Screening compound: 4-[2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido]phenyl 4-methoxybenzoate
4418-0010 Screening compound: 4-[2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido]phenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4418-0010
4-[2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido]phenyl 4-methoxybenzoate

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

4418-0010

Molecular Formula

C25H21N3O5 (C25 H21 N3 O5)

Compound Name

4-[2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido]phenyl 4-methoxybenzoate

IUPAC name

4-[2-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)acetamido]phenyl 4-methoxybenzoate

SMILES

CN1N=C(CC(Nc(cc2)ccc2OC(c(cc2)ccc2OC)=O)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C25H21N3O5/c1-28-24(30)21-6-4-3-5-20(21)22(27-28)15-23(29)26-17-9-13-19(14-10-17)33-25(31)16-7-11-18(32-2)12-8-16/h3-14H,15H2,1-2H3,(H,26,29)

InChI Key

RAIAYWHMAABJGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02953919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.122

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.74

Polar Surface Area

78.120

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4418-0010 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4418-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4418-0010?
Check Price and Availability of 4418-0010, 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 4418-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4418-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4418-0010
  • 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 4418-0010 available by request