5930-0750 Screening compound: 2-(2-methoxyphenyl)-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of ChemDiv screening compound 5930-0750
2-(2-methoxyphenyl)-4H-3,1-benzoxazin-4-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
5930-0750
Molecular Formula
C15H11NO3 (C15 H11 NO3)
Compound Name
2-(2-methoxyphenyl)-4H-3,1-benzoxazin-4-one
IUPAC name
2-(2-methoxyphenyl)-4H-31-benzoxazin-4-one
SMILES
COc(cccc1)c1C(O1)=Nc(cccc2)c2C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
253.26
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.430
Distribution Coefficient, logD
2.430
Water Solubility, LogSw
-2.90
Polar Surface Area
37.816
Acid Dissociation Constant (pKa)
33.29
Base Dissociation Constant (pKb)
0.28
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.70
5930-0750 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
STING Agonist Library (5895 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Eye
- Cancer
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Epigenetic
- Receptor's ligands
- Epigenetic
- GPCR
- Ion Channels
- Others
- Proteases
- Phosphatases
References: we are preparing a list of scientific research reports with 5930-0750 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)