2361-0084 Screening compound: 1-ethynyl-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Chemical Structure Depiction of ChemDiv screening compound 2361-0084
1-ethynyl-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-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
2361-0084
Molecular Formula
C21H28O2 (C21 H28 O2)
Compound Name
1-ethynyl-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC name
1-ethynyl-1-hydroxy-9a11a-dimethyl-1H2H3H3aH3bH4H5H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-one
SMILES
CC(CC1)(C(CC2)C(CC3)C1C(C)(CC1)C3=CC1=O)C2(C#C)O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
312.45
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
3.220
Distribution Coefficient, logD
3.220
Water Solubility, LogSw
-5.08
Polar Surface Area
29.374
Acid Dissociation Constant (pKa)
16.68
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
6.00
Percent sp3 carbon bonding
76.20
2361-0084 in Drug Discovery
Included in Screening Libraries
Glucocorticoid receptors Library (4806 compounds)
Human Receptors Annotated Library (5376 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Steroid-like Compounds (494 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Cancer
- Digestive system
- Nervous system
- Female
- Metabolic
- Endocrine
- Nuclear receptors
- Phosphatases
- Phosphatases
- Receptor's ligands
- Receptor's ligands
- Cyclic compounds
References: we are preparing a list of scientific research reports with 2361-0084 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)