5498-2582 Screening compound: 4-(4-ethoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]phthalazin-1-amine

5498-2582 Screening compound: 4-(4-ethoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]phthalazin-1-amine
5498-2582 Screening compound: 4-(4-ethoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2582
4-(4-ethoxyphenyl)-N-[4-(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

5498-2582

Molecular Formula

C28H28N4O2 (C28 H28 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c(c1ccccc11)nnc1Nc(cc1)ccc1C(N1CCCCC1)=O

InChI

InChI=1S/C28H28N4O2/c1-2-34-23-16-12-20(13-17-23)26-24-8-4-5-9-25(24)27(31-30-26)29-22-14-10-21(11-15-22)28(33)32-18-6-3-7-19-32/h4-5,8-17H,2-3,6-7,18-19H2,1H3,(H,29,31)

InChI Key

GFJSZRWEHFHZAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03666257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.050

Distribution Coefficient, logD

5.050

Water Solubility, LogSw

-4.63

Polar Surface Area

55.533

Acid Dissociation Constant (pKa)

17.62

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5498-2582 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5498-2582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2582?
Check Price and Availability of 5498-2582, 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 5498-2582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2582
  • 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 5498-2582 available by request