5754-2863 Screening compound: N-[5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2-piperidinophenyl]butanamide

5754-2863 Screening compound: N-[5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2-piperidinophenyl]butanamide
5754-2863 Screening compound: N-[5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2-piperidinophenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5754-2863
N-[5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2-piperidinophenyl]butanamide

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

5754-2863

Molecular Formula

C24H28N4O2 (C24 H28 N4 O2)

Compound Name

N-[5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-2-piperidinophenyl]butanamide

IUPAC name

N-[5-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)-2-(piperidin-1-yl)phenyl]butanamide

SMILES

CCCC(Nc(cc(cc1)C(c2c3cccc2)=NN(C)C3=O)c1N1CCCCC1)=O

InChI

InChI=1S/C24H28N4O2/c1-3-9-22(29)25-20-16-17(12-13-21(20)28-14-7-4-8-15-28)23-18-10-5-6-11-19(18)24(30)27(2)26-23/h5-6,10-13,16H,3-4,7-9,14-15H2,1-2H3,(H,25,29)

InChI Key

CPJMJRGTZQTVJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03680487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.966

Water Solubility, LogSw

-3.97

Polar Surface Area

52.749

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5754-2863 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5754-2863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5754-2863?
Check Price and Availability of 5754-2863, 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 5754-2863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5754-2863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5754-2863
  • 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 5754-2863 available by request