5498-2655 Screening compound: 4-(4-chlorophenyl)-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1,2-dihydrophthalazin-1-one

5498-2655 Screening compound: 4-(4-chlorophenyl)-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1,2-dihydrophthalazin-1-one
5498-2655 Screening compound: 4-(4-chlorophenyl)-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2655
4-(4-chlorophenyl)-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1,2-dihydrophthalazin-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

5498-2655

Molecular Formula

C21H20ClN3O2 (C21 H20 ClN3 O2)

Compound Name

4-(4-chlorophenyl)-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1,2-dihydrophthalazin-1-one

IUPAC name

4-(4-chlorophenyl)-2-[2-oxo-2-(piperidin-1-yl)ethyl]-12-dihydrophthalazin-1-one

SMILES

O=C(CN1N=C(c(cc2)ccc2Cl)c(cccc2)c2C1=O)N1CCCCC1

InChI

InChI=1S/C21H20ClN3O2/c22-16-10-8-15(9-11-16)20-17-6-2-3-7-18(17)21(27)25(23-20)14-19(26)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14H2

InChI Key

QTVMDZHKYWNOAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03666919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.099

Distribution Coefficient, logD

3.099

Water Solubility, LogSw

-3.85

Polar Surface Area

43.588

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 5498-2655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2655?
Check Price and Availability of 5498-2655, 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 5498-2655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2655
  • 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 5498-2655 available by request