Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3174091335
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 | 7 USD | 98 | 8 working days | Get Quote |
| 5 mg | 7 USD | 98 | 8 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-3174091335.sdf |
| SMILES | MCULE-3174091335.smiles |
| Standard InChI | MCULE-3174091335.inchi |
| InChIKey | MCULE-3174091335.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867629352 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875793017 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881663192 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590391492 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580242676 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606941410 | AmBeed | In stock | N/A | As is | in stock |
| P-489163192 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-675186776 | AnalytiCon Discovery | Natural screening compounds (85%+) | 85 | As is | unavailable |
| P-596966171 | Angene | Building Blocks in stock | 98 | As is | 300 g |
| P-589656698 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864101748 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580733806 | BLD pharm | In-stock building blocks | 98 | As is | 2.5 g |
| P-893256777 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-868591149 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580437087 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861987194 | FluoroChem | General BB | 95 | As is | in stock |
| P-505536061 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454387485 | Key Organics | Building Blocks | 97 | As is | 10 g |
| P-596569673 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-596571631 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-855998099 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-852443710 | Matrix Scientific | All | N/A | As is | in stock |
| P-854747604 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-889884664 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873222365 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611378306 | Toronto Research | In stock | 90 | As is | in stock |
| P-893939248 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.173 |
| logP | 1.1947 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.9556 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
