5498-2772 Screening compound: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-2-(1-oxo-4-phenyl-1,2-dihydrophthalazin-2-yl)acetamide

5498-2772 Screening compound: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-2-(1-oxo-4-phenyl-1,2-dihydrophthalazin-2-yl)acetamide
5498-2772 Screening compound: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-2-(1-oxo-4-phenyl-1,2-dihydrophthalazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2772
N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-2-(1-oxo-4-phenyl-1,2-dihydrophthalazin-2-yl)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

5498-2772

Molecular Formula

C35H30N6O4 (C35 H30 N6 O4)

Compound Name

N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-2-(1-oxo-4-phenyl-1,2-dihydrophthalazin-2-yl)acetamide

IUPAC name

N-[5-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-2-(1-oxo-4-phenyl-12-dihydrophthalazin-2-yl)acetamide

SMILES

CN1N=C(c(cc2)cc(NC(CN3N=C(c4ccccc4)c(cccc4)c4C3=O)=O)c2N2CCOCC2)c(cccc2)c2C1=O

InChI

InChI=1S/C35H30N6O4/c1-39-34(43)27-13-7-5-11-25(27)33(37-39)24-15-16-30(40-17-19-45-20-18-40)29(21-24)36-31(42)22-41-35(44)28-14-8-6-12-26(28)32(38-41)23-9-3-2-4-10-23/h2-16,21H,17-20,22H2,1H3,(H,36,42)

InChI Key

VJSHKIBBGVUURN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03675236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-3.97

Polar Surface Area

87.614

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.10

5498-2772 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5498-2772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2772?
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What is the minimum amount of 5498-2772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2772
  • 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 5498-2772 available by request