D429-0113 Screening compound: N-(naphthalen-1-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D429-0113
N-(naphthalen-1-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-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
D429-0113
Molecular Formula
C26H19NO3 (C26 H19 NO3)
Compound Name
N-(naphthalen-1-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
IUPAC name
N-(naphthalen-1-yl)-1-oxo-3-phenyl-34-dihydro-1H-2-benzopyran-6-carboxamide
SMILES
O=C(c(cc1)cc(CC(c2ccccc2)O2)c1C2=O)Nc1cccc2ccccc12
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
393.44
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
5.343
Distribution Coefficient, logD
5.341
Water Solubility, LogSw
-6.88
Polar Surface Area
42.913
Acid Dissociation Constant (pKa)
9.83
Base Dissociation Constant (pKb)
-2.74
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
7.70
D429-0113 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with D429-0113 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)