5233-2458 Screening compound: 5-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide

5233-2458 Screening compound: 5-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide
5233-2458 Screening compound: 5-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5233-2458
5-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide

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

5233-2458

Molecular Formula

C23H20N4O3 (C23 H20 N4 O3)

Compound Name

5-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide

IUPAC name

5-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide

SMILES

CNC(c(cc(cc1)Nc2nnc(-c(cc3)ccc3O)c3ccccc23)c1OC)=O

InChI

InChI=1S/C23H20N4O3/c1-24-23(29)19-13-15(9-12-20(19)30-2)25-22-18-6-4-3-5-17(18)21(26-27-22)14-7-10-16(28)11-8-14/h3-13,28H,1-2H3,(H,24,29)(H,25,27)

InChI Key

RCEANUNURZUXKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03291871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.60

Polar Surface Area

81.844

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

5233-2458 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5233-2458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5233-2458?
Check Price and Availability of 5233-2458, 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 5233-2458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5233-2458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5233-2458
  • 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 5233-2458 available by request