C301-7463 Screening compound: 1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)urea
Chemical Structure Depiction of ChemDiv screening compound C301-7463
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)urea
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
C301-7463
Molecular Formula
C18H16N2O6 (C18 H16 N2 O6)
Compound Name
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)urea
IUPAC name
1-(25-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)urea
SMILES
COc(cc1)cc(NC(NC(C(Oc2c3cccc2)=O)=C3O)=O)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
356.33
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.975
Distribution Coefficient, logD
-1.598
Water Solubility, LogSw
-2.95
Polar Surface Area
83.210
Acid Dissociation Constant (pKa)
3.40
Base Dissociation Constant (pKb)
3.13
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.10
C301-7463 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Others
- Proteases
- Epigenetic
References: we are preparing a list of scientific research reports with C301-7463 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)