N032-0001 Screening compound: 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
Chemical Structure Depiction of ChemDiv screening compound N032-0001
3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
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
N032-0001
Molecular Formula
C30H50O2 (C30 H50 O2)
Compound Name
3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
IUPAC name
(5aR5bR11aR)-3a-(hydroxymethyl)-5a5b8811a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
SMILES
CC(C)(C(CC1)[C@@](C)(CC2)C(CC3)[C@@]1(C)[C@]1(C)C3C(C(CC3)C(C)=C)C3(CO)CC1)C2O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
442.73
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
6.281
Distribution Coefficient, logD
6.281
Water Solubility, LogSw
-6.00
Polar Surface Area
33.210
Acid Dissociation Constant (pKa)
16.26
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
10.00
Percent sp3 carbon bonding
93.30
N032-0001 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Receptors Annotated Library (5376 compounds)
Launched & Clinically Evaluated Drugs Library (185 compounds)
Regenerative Medicine Focused Library (23016 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)
Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)
Included in 1.7M Stock Database
- 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
- Cyclic compounds
- Phosphatases
- Phosphatases
- Receptor's ligands
References: we are preparing a list of scientific research reports with N032-0001 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)