Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4615585642
Compound
Show structure
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 | 37 USD | 98 | 16 working days | Get Quote |
| 5 mg | 37 USD | 98 | 16 working days | Get Quote |
| 10 mg | 54 USD | 98 | 16 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.
| Name | File |
|---|---|
| SDF | MCULE-4615585642.sdf |
| SMILES | MCULE-4615585642.smiles |
| Standard InChI | MCULE-4615585642.inchi |
| InChIKey | MCULE-4615585642.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-590950322 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-868738563 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-867644130 | A2B Chem | Predominantly Building Block in stock | 95 | As an isomer | in stock |
| P-875810549 | AA Blocks | AA Blocks - in stock | N/A | As an isomer | in stock |
| P-869187891 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-505351416 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-505401949 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-893472630 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 1.975 g |
| P-868961356 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-881622538 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-489111329 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As an isomer | in stock |
| P-868831250 | Angene | Building Blocks in stock | 98 | As an isomer | 15 mg |
| P-889445924 | AstaTech | Backordered BBs | 95 | As an isomer | by synthesis |
| P-890230644 | BLD pharm | Non-stock building blocks | 95 | As an isomer | by synthesis |
| P-579721891 | CNH Technologies | In-stock Building Blocks | N/A | As an isomer | unavailable |
| P-580451213 | CliniSciences S.A.S | All products | 99 | As an isomer | in stock |
| P-861452687 | Combi-Blocks | Building Block on demand | 95 | As an isomer | by synthesis |
| P-579480854 | DC Chemicals Limited | Stock Products | 95 | As an isomer | in stock |
| P-500419657 | Glentham Life Sciences | Compounds typically in stock | 99 | As an isomer | in stock |
| P-675336087 | Innovapharm | Virtual Building Blocks | 95 | As an isomer | by synthesis |
| P-524162797 | Key Organics | Building Blocks | 98 | As an isomer | 5 mg |
| P-611664708 | Manchester Organics | Compounds on demand | N/A | As an isomer | by synthesis |
| P-852531289 | Matrix Scientific | All | N/A | As an isomer | in stock |
| P-854715012 | MedChemExpress | Screening compounds In stock | 95 | As an isomer | in stock |
| P-474027875 | MedKoo | In stock compounds | 95 | As an isomer | in stock |
| P-608276207 | Molnova | Stock | 98 | As an isomer | in stock |
| P-571182268 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-464619632 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
| P-892286214 | TargetMol | In Stock BB | 95 | As an isomer | 987 mg |
| P-888626641 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | 987 mg |
| P-596714839 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 30 mg |
| P-575294832 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 129.157 |
| logP | 1.0648 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 34.9612 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
