5754-2951 Screening compound: 2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl}acetamide

5754-2951 Screening compound: 2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl}acetamide
5754-2951 Screening compound: 2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5754-2951
2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl}acetamide

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

5754-2951

Molecular Formula

C29H29N5O4 (C29 H29 N5 O4)

Compound Name

2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl}acetamide

IUPAC name

2-(4-methyl-1-oxo-12-dihydrophthalazin-2-yl)-N-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl}acetamide

SMILES

CC(c1c2cccc1)=NN(CC(Nc(cc1)ccc1OCC(N(CC1)CCN1c1ccccc1)=O)=O)C2=O

InChI

InChI=1S/C29H29N5O4/c1-21-25-9-5-6-10-26(25)29(37)34(31-21)19-27(35)30-22-11-13-24(14-12-22)38-20-28(36)33-17-15-32(16-18-33)23-7-3-2-4-8-23/h2-14H,15-20H2,1H3,(H,30,35)

InChI Key

KTWBFSZMIVTRKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03678054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.765

Distribution Coefficient, logD

2.765

Water Solubility, LogSw

-3.49

Polar Surface Area

76.670

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

5754-2951 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5754-2951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5754-2951?
Check Price and Availability of 5754-2951, 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 5754-2951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5754-2951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5754-2951
  • 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 5754-2951 available by request