8011-1017 Screening compound: 9a,11a-dimethyl-1-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl heptanoate
Chemical Structure Depiction of ChemDiv screening compound 8011-1017
9a,11a-dimethyl-1-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl heptanoate
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
8011-1017
Molecular Formula
C26H40O3 (C26 H40 O3)
Compound Name
9a,11a-dimethyl-1-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl heptanoate
IUPAC name
(9aR11aS)-9a11a-dimethyl-1-oxo-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl heptanoate
SMILES
CCCCCCC(OC1CC2=CCC(C(CC3)[C@@](C)(CC4)C3=O)C4[C@]2(C)CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
400.6
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
5.773
Distribution Coefficient, logD
5.773
Water Solubility, LogSw
-5.58
Polar Surface Area
33.375
Acid Dissociation Constant (pKa)
19.91
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
6.00
Percent sp3 carbon bonding
84.60
8011-1017 in Drug Discovery
Included in Screening Libraries
Regenerative Medicine Focused Library (23016 compounds)
Steroid-like Compounds (494 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cardiovascular
- Metabolic
- Immune system
- Cyclic compounds
References: we are preparing a list of scientific research reports with 8011-1017 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)