1988-0927 Screening compound: N-(2-methylphenyl)-2-oxo-2H-chromene-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound 1988-0927
N-(2-methylphenyl)-2-oxo-2H-chromene-3-carboxamide
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
1988-0927
Molecular Formula
C17H13NO3 (C17 H13 NO3)
Compound Name
N-(2-methylphenyl)-2-oxo-2H-chromene-3-carboxamide
IUPAC name
N-(2-methylphenyl)-2-oxo-2H-chromene-3-carboxamide
SMILES
Cc(cccc1)c1NC(C1=Cc(cccc2)c2OC1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
279.3
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
2.871
Distribution Coefficient, logD
2.868
Water Solubility, LogSw
-3.47
Polar Surface Area
43.553
Acid Dissociation Constant (pKa)
9.66
Base Dissociation Constant (pKb)
-0.64
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.90
1988-0927 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Proteases
- Epigenetic
References: we are preparing a list of scientific research reports with 1988-0927 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)