5498-2620 Screening compound: 2-(4-{4-[(3-methylphenyl)amino]phthalazin-1-yl}phenoxy)-1-(piperidin-1-yl)ethan-1-one

5498-2620 Screening compound: 2-(4-{4-[(3-methylphenyl)amino]phthalazin-1-yl}phenoxy)-1-(piperidin-1-yl)ethan-1-one
5498-2620 Screening compound: 2-(4-{4-[(3-methylphenyl)amino]phthalazin-1-yl}phenoxy)-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2620
2-(4-{4-[(3-methylphenyl)amino]phthalazin-1-yl}phenoxy)-1-(piperidin-1-yl)ethan-1-one

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

5498-2620

Molecular Formula

C28H28N4O2 (C28 H28 N4 O2)

Compound Name

2-(4-{4-[(3-methylphenyl)amino]phthalazin-1-yl}phenoxy)-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-(4-{4-[(3-methylphenyl)amino]phthalazin-1-yl}phenoxy)-1-(piperidin-1-yl)ethan-1-one

SMILES

Cc1cccc(Nc2nnc(-c(cc3)ccc3OCC(N3CCCCC3)=O)c3ccccc23)c1

InChI

InChI=1S/C28H28N4O2/c1-20-8-7-9-22(18-20)29-28-25-11-4-3-10-24(25)27(30-31-28)21-12-14-23(15-13-21)34-19-26(33)32-16-5-2-6-17-32/h3-4,7-15,18H,2,5-6,16-17,19H2,1H3,(H,29,31)

InChI Key

OOQHFOMATPNWSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03680526

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

4.822

Distribution Coefficient, logD

4.821

Water Solubility, LogSw

-4.80

Polar Surface Area

55.381

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5498-2620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2620?
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What is the minimum amount of 5498-2620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2620
  • 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 5498-2620 available by request