8020-8610 Screening compound: 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
Chemical Structure Depiction of ChemDiv screening compound 8020-8610
3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
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
8020-8610
Molecular Formula
C26H29NO8 (C26 H29 NO8)
Compound Name
3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N~1~-(4-hydroxyphenethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
IUPAC name
3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(345-trimethoxyphenyl)propanamide
SMILES
CC(O1)=CC(O)=C(C(CC(NCCc(cc2)ccc2O)=O)c(cc2OC)cc(OC)c2OC)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
483.52
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.668
Distribution Coefficient, logD
-1.324
Water Solubility, LogSw
-2.30
Polar Surface Area
102.507
Acid Dissociation Constant (pKa)
4.41
Base Dissociation Constant (pKb)
-2.15
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
30.77
8020-8610 in Drug Discovery
Included in Screening Libraries
Carbonic Anhydrase II Library (4939 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8020-8610 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)