MCULE-8583103564-1
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 68 USD | 95 | 22 working days | Get Quote |
5 mg | 68 USD | 95 | 22 working days | Get Quote |
10 mg | 68 USD | 95 | 22 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-6325848603-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8583103564-1.sdf |
SMILES | MCULE-8583103564-1.smiles |
Standard InChI | MCULE-8583103564-1.inchi |
InChIKey | MCULE-8583103564-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867610101 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875769581 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-606904162 | AmBeed | In stock | N/A | As is | in stock |
P-864142465 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-584629299 | BLD pharm | In-stock building blocks | 95 | As is | 1.35 g |
P-868565077 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580406149 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-524201989 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-480987325 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-851471577 | AmBeed | On request | N/A | As a main component | by synthesis |
P-590799235 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 141.128 |
logP | -0.5744 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 1 |
PSA | 92.0 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 35.3899 |
Atoms | 17 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 7 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |