N075-0013 Screening compound: (5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icos-19-ene-5-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound N075-0013
(5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icos-19-ene-5-carboxylic acid
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
N075-0013
Molecular Formula
C26H36O4 (C26 H36 O4)
Compound Name
(5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icos-19-ene-5-carboxylic acid
IUPAC name
(5R9R13R18R)-59-dimethyl-1417-dioxo-20-(propan-2-yl)pentacyclo[10.6.2.0^{110}.0^{49}.0^{1318}]icos-19-ene-5-carboxylic acid
SMILES
CC(C)C(C(CC1[C@](C)(CCC2)C(CC3)[C@@]2(C)C(O)=O)[C@@H]2C(CC4)=O)=CC13[C@H]2C4=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
412.57
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.835
Distribution Coefficient, logD
1.542
Water Solubility, LogSw
-4.38
Polar Surface Area
55.017
Acid Dissociation Constant (pKa)
5.11
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
8.00
Percent sp3 carbon bonding
80.80
N075-0013 in Drug Discovery
Included in Screening Libraries
Autophagy-Targeted Library (4564 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Natural Compounds Library (353 compounds)
New Agro Library (44492 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
- Infections
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Cancer
- Digestive system
- Nervous system
- Female
- Metabolic
- Endocrine
- Agro
- Phosphatases
- Phosphatases
- Receptor's ligands
References: we are preparing a list of scientific research reports with N075-0013 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)