Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4648197017
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 | 38 USD | 90 | 19 working days | Get Quote |
| 5 mg | 55 USD | 90 | 19 working days | Get Quote |
| 10 mg | 59 USD | 98 | 20 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-4648197017.sdf |
| SMILES | MCULE-4648197017.smiles |
| Standard InChI | MCULE-4648197017.inchi |
| InChIKey | MCULE-4648197017.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867556290 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875715335 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869330953 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893511466 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 167.4 g |
| P-580242142 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606926058 | AmBeed | In stock | N/A | As is | in stock |
| P-596943521 | Angene | Building Blocks in stock | 98 | As is | 75 g |
| P-895922511 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864140658 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580728477 | BLD pharm | In-stock building blocks | 95 | As is | 30.805 g |
| P-887066975 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-862049564 | FluoroChem | General BB | N/A | As is | in stock |
| P-590338679 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 13.03 g |
| P-890216244 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-524195903 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-874448591 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-12678890 | Otava | In-House Stock Library | 90 | As is | 5 mg |
| P-888886751 | PharmaBlock | In stock | N/A | As is | in stock |
| P-424840209 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889862524 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596737145 | Synthonix | In-stock Building Blocks | 95 | As is | 43.05 g |
| P-502399433 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611597099 | Toronto Research | In stock | 90 | As is | in stock |
| P-25436859 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 100 mg |
| P-893979028 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 206.023 |
| logP | 2.855 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.8257 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 5 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
