5754-2981 Screening compound: 4-[4-(morpholin-4-yl)-3-nitrophenyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1,2-dihydrophthalazin-1-one

5754-2981 Screening compound: 4-[4-(morpholin-4-yl)-3-nitrophenyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1,2-dihydrophthalazin-1-one
5754-2981 Screening compound: 4-[4-(morpholin-4-yl)-3-nitrophenyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5754-2981
4-[4-(morpholin-4-yl)-3-nitrophenyl]-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

5754-2981

Molecular Formula

C25H27N5O5 (C25 H27 N5 O5)

Compound Name

4-[4-(morpholin-4-yl)-3-nitrophenyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1,2-dihydrophthalazin-1-one

IUPAC name

4-[4-(morpholin-4-yl)-3-nitrophenyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-12-dihydrophthalazin-1-one

SMILES

[O-][N+](c(cc(cc1)C(c2c3cccc2)=NN(CC(N2CCCCC2)=O)C3=O)c1N1CCOCC1)=O

InChI

InChI=1S/C25H27N5O5/c31-23(28-10-4-1-5-11-28)17-29-25(32)20-7-3-2-6-19(20)24(26-29)18-8-9-21(22(16-18)30(33)34)27-12-14-35-15-13-27/h2-3,6-9,16H,1,4-5,10-15,17H2

InChI Key

YNJWNURPTDDXPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03996103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.274

Distribution Coefficient, logD

2.274

Water Solubility, LogSw

-3.16

Polar Surface Area

87.728

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

5754-2981 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5754-2981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5754-2981?
Check Price and Availability of 5754-2981, 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 5754-2981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5754-2981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5754-2981
  • 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 5754-2981 available by request