N050-0018 Screening compound: 2-{1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate
Chemical Structure Depiction of ChemDiv screening compound N050-0018
2-{1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate
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
N050-0018
Molecular Formula
C23H30O6 (C23 H30 O6)
Compound Name
2-{1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate
IUPAC name
2-[(1R)-110-dihydroxy-9a11a-dimethyl-7-oxo-1H2H3H3aH3bH4H5H7H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
SMILES
CC(CC1O)(C(CC2)C(CC3)C1C(C)(C=C1)C3=CC1=O)C2(C(COC(C)=O)=O)O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
402.49
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.592
Distribution Coefficient, logD
2.592
Water Solubility, LogSw
-4.17
Polar Surface Area
79.001
Acid Dissociation Constant (pKa)
16.53
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
7.00
Percent sp3 carbon bonding
69.60
N050-0018 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Autophagy-Targeted Library (4564 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Glucocorticoid receptors Library (4806 compounds)
Launched & Clinically Evaluated Drugs Library (185 compounds)
Steroid-like Compounds (494 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Natural Compounds Library (353 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Cancer
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Endocrine
- Cardiovascular
- Metabolic
- Immune system
- Nuclear receptors
- Receptor's ligands
- Cyclic compounds
References: we are preparing a list of scientific research reports with N050-0018 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)