N070-0006 Screening compound: (4aS,6bS,9S,9aS,15bR,16aS)-9-hydroxy-9,12,16b-trimethyl-5-oxotetracosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-3-yl acetate
Chemical Structure Depiction of ChemDiv screening compound N070-0006
(4aS,6bS,9S,9aS,15bR,16aS)-9-hydroxy-9,12,16b-trimethyl-5-oxotetracosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-3-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
N070-0006
Molecular Formula
C29H45NO4 (C29 H45 NO4)
Compound Name
(4aS,6bS,9S,9aS,15bR,16aS)-9-hydroxy-9,12,16b-trimethyl-5-oxotetracosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-3-yl acetate
IUPAC name
(1R9S10S14S18S24S)-10-hydroxy-61023-trimethyl-17-oxo-4-azahexacyclo[12.11.0.0^{211}.0^{49}.0^{1524}.0^{1823}]pentacosan-20-yl acetate
SMILES
CC(CC1)CN(CC([C@@H]2C3)C4CC[C@H]2C(C2)[C@H]3C(C)(CCC(C3)OC(C)=O)[C@H]3C2=O)[C@@H]1[C@@]4(C)O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
471.68
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.350
Distribution Coefficient, logD
3.913
Water Solubility, LogSw
-4.49
Polar Surface Area
52.236
Acid Dissociation Constant (pKa)
15.38
Base Dissociation Constant (pKb)
7.64
Number of Chiral Centers
12.00
Percent sp3 carbon bonding
93.10
N070-0006 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Ion Channels Focused Library (26372 compounds)
Natural Compounds Library (353 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Nervous system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Nervous system
- Cardiovascular
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Epigenetic
- Ion Channels
- Phosphatases
References: we are preparing a list of scientific research reports with N070-0006 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)