3998-0068 Screening compound: 2-(3-ethoxy-4-hydroxyphenyl)-4H-chromen-4-one
Chemical Structure Depiction of ChemDiv screening compound 3998-0068
2-(3-ethoxy-4-hydroxyphenyl)-4H-chromen-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
3998-0068
Molecular Formula
C17H14O4 (C17 H14 O4)
Compound Name
2-(3-ethoxy-4-hydroxyphenyl)-4H-chromen-4-one
IUPAC name
2-(3-ethoxy-4-hydroxyphenyl)-4H-chromen-4-one
SMILES
CCOc(cc(cc1)C(Oc2c3cccc2)=CC3=O)c1O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
282.3
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.600
Distribution Coefficient, logD
3.600
Water Solubility, LogSw
-3.36
Polar Surface Area
45.544
Acid Dissociation Constant (pKa)
10.50
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.80
3998-0068 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anti-Aging Library (44940 compounds)
Anti-Inflammatory Library (24602 compounds)
Antimitotic Tubulin Library (17355 compounds)
Protein-Protein Interaction Library (218420 compounds)
STING Agonist Library (5895 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Immune system
- Cancer
- Digestive system
- Nervous system
- Female
- Metabolic
- Endocrine
- Kinases
- Others
- Proteases
- Phosphatases
- Epigenetic
- PPI modulators
- Receptor's ligands
- Receptor's ligands
References: we are preparing a list of scientific research reports with 3998-0068 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)