5498-2761 Screening compound: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound 5498-2761
N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]benzamide
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
5498-2761
Molecular Formula
C26H24N4O3 (C26 H24 N4 O3)
Compound Name
N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]benzamide
IUPAC name
N-[5-(3-methyl-4-oxo-34-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]benzamide
SMILES
CN1N=C(c(cc2)cc(NC(c3ccccc3)=O)c2N2CCOCC2)c(cccc2)c2C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
440.5
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.547
Distribution Coefficient, logD
3.520
Water Solubility, LogSw
-3.83
Polar Surface Area
60.599
Acid Dissociation Constant (pKa)
8.61
Base Dissociation Constant (pKb)
4.24
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.20
5498-2761 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Angiogenesis library (14822 compounds)
Cardiovascular Library (22201 compounds)
PI3K-Targeted Library (17255 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Cardiovascular
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with 5498-2761 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)