R092-0060 Screening compound: 2-{1,10-dihydroxy-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}-2-oxoethyl acetate
Chemical Structure Depiction of ChemDiv screening compound R092-0060
2-{1,10-dihydroxy-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}-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
R092-0060
Molecular Formula
C23H32O6 (C23 H32 O6)
Compound Name
2-{1,10-dihydroxy-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}-2-oxoethyl acetate
IUPAC name
2-[(1R3aS3bS9aR9bS10S11aS)-110-dihydroxy-9a11a-dimethyl-7-oxo-1H2H3H3aH3bH4H5H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
SMILES
C[C@@](C[C@H]1O)([C@H](CC2)[C@@H](CC3)[C@@H]1[C@](C)(CC1)C3=CC1=O)[C@@]2(C(COC(C)=O)=O)O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
404.5
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
2.382
Distribution Coefficient, logD
2.382
Water Solubility, LogSw
-4.11
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
78.30
R092-0060 in Drug Discovery
Included in Screening Libraries
Glucocorticoid receptors Library (4806 compounds)
Launched & Clinically Evaluated Drugs Library (185 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Endocrine
- Nuclear receptors
- Receptor's ligands
References: we are preparing a list of scientific research reports with R092-0060 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)