N039-0025 Screening compound: 1-{7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound N039-0025
1-{7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-one
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
N039-0025
Molecular Formula
C21H34O2 (C21 H34 O2)
Compound Name
1-{7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-one
IUPAC name
1-[(5aS)-7-hydroxy-9a11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one
SMILES
CC(CC1)(C(CC2)C(CC3)C1C(C)(CC1)C3CC1O)C2C(C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
318.5
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
4.009
Distribution Coefficient, logD
4.009
Water Solubility, LogSw
-4.64
Polar Surface Area
30.107
Acid Dissociation Constant (pKa)
17.22
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
8.00
Percent sp3 carbon bonding
95.20
N039-0025 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
CNS Annotated Library (688 compounds)
Dark Chemical Matter Library (18430 compounds)
Glucocorticoid receptors Library (4806 compounds)
Human GPCR Annotated Library (5539 compounds)
Human Ion Channels Annotated Library (353 compounds)
Human Proteases Annotated Library (2868 compounds)
Launched & Clinically Evaluated Drugs Library (185 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Steroid-like Compounds (494 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Natural Compounds Library (353 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Pool
- Cyclic compounds
- Eye
- Cancer
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Endocrine
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cardiovascular
- Metabolic
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- GPCR
- Ion Channels
- Nuclear receptors
- Phosphatases
- Receptor's ligands
- Receptor's ligands
References: we are preparing a list of scientific research reports with N039-0025 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)