MCULE-4975214317
- 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 | 142 USD | 98 | 8 working days | Get Quote |
5 mg | 142 USD | 98 | 8 working days | Get Quote |
10 mg | 142 USD | 98 | 8 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-6356848393
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4975214317.sdf |
SMILES | MCULE-4975214317.smiles |
Standard InChI | MCULE-4975214317.inchi |
InChIKey | MCULE-4975214317.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-854783949 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-893507869 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 1.5 g |
P-675240186 | Allbio Pharm | In stock | N/A | As a main component | in stock |
P-489206579 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-892406832 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-872717533 | BLD pharm | In-stock building blocks | 98 | As a main component | 250 mg |
P-861358257 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-608121782 | LabSeeker, Inc | Stock Collection | 95 | As a main component | in stock |
P-854780231 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-864013279 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-888856794 | PharmaBlock | In stock | N/A | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 133.190 |
logP | 2.2015 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 26.02 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 41.6154 |
Atoms | 21 |
Rings | 2 |
Heavy atoms | 10 |
Hydrogen atoms | 11 |
Heteroatoms | 1 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 2 |
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 |