N056-0010 Screening compound: 1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Chemical Structure Depiction of ChemDiv screening compound N056-0010
1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 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
N056-0010
Molecular Formula
C23H32O5 (C23 H32 O5)
Compound Name
1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
IUPAC name
(1R)-1-(2-hydroxyacetyl)-9a11a-dimethyl-7-oxo-1H2H3H3aH3bH4H5H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-1-yl acetate
SMILES
CC(CC1)(C(CC2)C(CC3)C1C(C)(CC1)C3=CC1=O)C2(C(CO)=O)OC(C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
388.5
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.079
Distribution Coefficient, logD
3.079
Water Solubility, LogSw
-4.37
Polar Surface Area
63.895
Acid Dissociation Constant (pKa)
15.44
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
6.00
Percent sp3 carbon bonding
78.30
N056-0010 in Drug Discovery
Included in Screening Libraries
Glucocorticoid receptors Library (4806 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Steroid-like Compounds (494 compounds)
Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Endocrine
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cardiovascular
- Metabolic
- Immune system
- Cancer
- Digestive system
- Nervous system
- Female
- Metabolic
- Endocrine
- Nuclear receptors
- Phosphatases
- Receptor's ligands
- Receptor's ligands
- Cyclic compounds
References: we are preparing a list of scientific research reports with N056-0010 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)