MCULE-3865798825
- 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 | 65 USD | 95 | 10 working days | Get Quote |
5 mg | 81 USD | 95 | 10 working days | Get Quote |
10 mg | 111 USD | 95 | 10 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-3711181885
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3865798825.sdf |
SMILES | MCULE-3865798825.smiles |
Standard InChI | MCULE-3865798825.inchi |
InChIKey | MCULE-3865798825.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-580361424 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-852127533 | A2B Chem | Predominantly Building Block on demand | 95 | As a main component | by synthesis |
P-890170622 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-894662729 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851717057 | AmBeed | On request | N/A | As a main component | by synthesis |
P-579787823 | Apollo Scientific | On request | 95 | As a main component | by resynthesis (? - ? days) |
P-590903249 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-861374042 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-454384527 | Key Organics | Building Blocks | 95 | As a main component | 1.218 g |
P-18810514 | Key Organics | Screening Compounds and Fragments | 95 | As a main component | 1.218 g |
P-852427881 | Matrix Scientific | All | N/A | As a main component | in stock |
P-854932644 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-855309062 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 142.225 |
logP | 1.8746 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 53.16 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 41.3517 |
Atoms | 19 |
Rings | 1 |
Heavy atoms | 9 |
Hydrogen atoms | 10 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |