MCULE-2966644389
- 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 | 121 USD | 95 | 10 working days | Get Quote |
5 mg | 121 USD | 95 | 10 working days | Get Quote |
10 mg | 201 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-8614295857
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2966644389.sdf |
SMILES | MCULE-2966644389.smiles |
Standard InChI | MCULE-2966644389.inchi |
InChIKey | MCULE-2966644389.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-610962410 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 10.111 g |
P-893297907 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
P-584630236 | BLD pharm | In-stock building blocks | 97 | As is | unavailable |
P-851265387 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861358839 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579482531 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-854712719 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584623266 | MedKoo | In stock compounds | 95 | As is | in stock |
P-610891201 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As a main component | by synthesis |
P-895194130 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
P-872678723 | MedKoo | In stock compounds | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 507.574 |
logP | 5.3821 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 76.07 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 148.7158 |
Atoms | 67 |
Rings | 5 |
Heavy atoms | 38 |
Hydrogen atoms | 29 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |