MCULE-1430531681
- 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 | 148 USD | 95 | 22 working days | Get Quote |
5 mg | 148 USD | 95 | 22 working days | Get Quote |
10 mg | 148 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.
Name | File |
---|---|
SDF | MCULE-1430531681.sdf |
SMILES | MCULE-1430531681.smiles |
Standard InChI | MCULE-1430531681.inchi |
InChIKey | MCULE-1430531681.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867644062 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-875810670 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869305187 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851510255 | AmBeed | On request | N/A | As is | by synthesis |
P-613176672 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-889111093 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
P-579524018 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-890212792 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-502442810 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-503002833 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-892807864 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-854911321 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-621723472 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-856071136 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 9.2 g |
P-855215753 | Toronto Research | In stock | 90 | As is | in stock |
P-893742498 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 238.236 |
logP | 1.4496 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 61.83 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 60.5195 |
Atoms | 31 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 14 |
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 |