Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4315419217-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 21 USD | 95 | 14 working days | Get Quote |
| 5 mg | 21 USD | 95 | 14 working days | Get Quote |
| 10 mg | 32 USD | 97 | 8 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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.
-
1
MCULE-9996696935-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4315419217-0.sdf |
| SMILES | MCULE-4315419217-0.smiles |
| Standard InChI | MCULE-4315419217-0.inchi |
| InChIKey | MCULE-4315419217-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869262009 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851600545 | AmBeed | On request | N/A | As is | by synthesis |
| P-590844208 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-870661760 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-424221469 | Otava | In-House Stock Library | 90 | As is | 359 mg |
| P-492282867 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 359 mg |
| P-867601139 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875758561 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-597013958 | AEchem | Building blocks | 95 | Main component | in stock |
| P-590394016 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-606864094 | AmBeed | In stock | N/A | Main component | in stock |
| P-489204023 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-596959269 | Angene | Building Blocks in stock | 97 | Main component | 13.8 g |
| P-864092312 | AstaTech | In Stock BBs | 97 | Main component | in stock |
| P-580695920 | BLD pharm | In-stock building blocks | 97 | Main component | 1.2 g |
| P-851282600 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868647852 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-580280541 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-861986677 | FluoroChem | General BB | N/A | Main component | in stock |
| P-505513685 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-454404955 | Key Organics | Building Blocks | 97 | Main component | 500 mg |
| P-580494497 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-852443044 | Matrix Scientific | All | N/A | Main component | in stock |
| P-869096618 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-888904057 | PharmaBlock | In stock | N/A | Main component | in stock |
| P-855030895 | Toronto Research | In stock | 90 | Main component | in stock |
| P-481010051 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 196.632 |
| logP | 2.4935 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 58.88 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.9381 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
