MCULE-9248065705
- 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 | 71 USD | 97 | 16 working days | Get Quote |
10 mg | 71 USD | 97 | 16 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-9248065705.sdf |
SMILES | MCULE-9248065705.smiles |
Standard InChI | MCULE-9248065705.inchi |
InChIKey | MCULE-9248065705.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867552270 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875710301 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590410429 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-675221704 | Allbio Pharm | Backorder | 95 | As is | by resynthesis (? - ? days) |
P-606945507 | AmBeed | In stock | N/A | As is | in stock |
P-888814183 | Angene | Building Blocks in stock | 97 | As is | 1000 mg |
P-864092096 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-890242394 | BLD pharm | In-stock building blocks | 97 | As is | 1000 mg |
P-861555489 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862034964 | FluoroChem | General BB | N/A | As is | in stock |
P-454378233 | Key Organics | Building Blocks | 95 | As is | 1.696 g |
P-18794662 | Key Organics | Screening Compounds and Fragments | 95 | As is | 1.696 g |
P-854809230 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611608685 | Toronto Research | In stock | 90 | As is | in stock |
P-872756276 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 225.285 |
logP | 3.9465 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 25.02 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 72.2287 |
Atoms | 32 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 15 |
Heteroatoms | 2 |
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 |