5498-2787 Screening compound: 4-(4-ethoxyphenyl)-N-[4-methoxy-3-(piperidine-1-carbonyl)phenyl]phthalazin-1-amine

5498-2787 Screening compound: 4-(4-ethoxyphenyl)-N-[4-methoxy-3-(piperidine-1-carbonyl)phenyl]phthalazin-1-amine
5498-2787 Screening compound: 4-(4-ethoxyphenyl)-N-[4-methoxy-3-(piperidine-1-carbonyl)phenyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2787
4-(4-ethoxyphenyl)-N-[4-methoxy-3-(piperidine-1-carbonyl)phenyl]phthalazin-1-amine

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

5498-2787

Molecular Formula

C29H30N4O3 (C29 H30 N4 O3)

Compound Name

4-(4-ethoxyphenyl)-N-[4-methoxy-3-(piperidine-1-carbonyl)phenyl]phthalazin-1-amine

IUPAC name

4-(4-ethoxyphenyl)-N-[4-methoxy-3-(piperidine-1-carbonyl)phenyl]phthalazin-1-amine

SMILES

CCOc(cc1)ccc1-c(c1ccccc11)nnc1Nc(cc1)cc(C(N2CCCCC2)=O)c1OC

InChI

InChI=1S/C29H30N4O3/c1-3-36-22-14-11-20(12-15-22)27-23-9-5-6-10-24(23)28(32-31-27)30-21-13-16-26(35-2)25(19-21)29(34)33-17-7-4-8-18-33/h5-6,9-16,19H,3-4,7-8,17-18H2,1-2H3,(H,30,32)

InChI Key

GBROOSOLBZYXCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03675451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

5.278

Water Solubility, LogSw

-5.37

Polar Surface Area

63.163

Acid Dissociation Constant (pKa)

19.83

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

5498-2787 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

CNS targets activity set (6557 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5498-2787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2787?
Check Price and Availability of 5498-2787, 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 5498-2787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2787
  • 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 5498-2787 available by request