Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1258728855-0
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 | 37 USD | 95 | 19 working days | Get Quote |
| 5 mg | 37 USD | 95 | 19 working days | Get Quote |
| 10 mg | 37 USD | 95 | 19 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-1258728855-0.sdf |
| SMILES | MCULE-1258728855-0.smiles |
| Standard InChI | MCULE-1258728855-0.inchi |
| InChIKey | MCULE-1258728855-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867662574 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875831755 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590380360 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851804819 | AmBeed | On request | N/A | As is | by synthesis |
| P-489181859 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-597006250 | Angene | Building Blocks in stock | N/A | As is | 600 g |
| P-494427675 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889477664 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-591069821 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-868604057 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580304004 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-505492265 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-596573848 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-870640598 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-895256286 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-620075471 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-620225582 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-500403265 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-23114089 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-575330089 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 276.356 |
| logP | 4.146 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 71.78 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 77.6684 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
