4112-0703 Screening compound: 2-(naphthalen-2-yl)-1,2-dihydrophthalazin-1-one
Chemical Structure Depiction of ChemDiv screening compound 4112-0703
2-(naphthalen-2-yl)-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
4112-0703
Molecular Formula
C18H12N2O (C18 H12 N2 O)
Compound Name
2-(naphthalen-2-yl)-1,2-dihydrophthalazin-1-one
IUPAC name
2-(naphthalen-2-yl)-12-dihydrophthalazin-1-one
SMILES
O=C1N(c2cc3ccccc3cc2)N=Cc2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
272.31
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.632
Distribution Coefficient, logD
3.632
Water Solubility, LogSw
-3.93
Polar Surface Area
26.539
Acid Dissociation Constant (pKa)
14.00
Base Dissociation Constant (pKb)
3.39
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
4112-0703 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Receptors Annotated Library (5376 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 4112-0703 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)