Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2886616095
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 | 25 USD | 97 | 16 working days | Get Quote |
| 5 mg | 25 USD | 97 | 16 working days | Get Quote |
| 10 mg | 25 USD | 97 | 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-2886616095.sdf |
| SMILES | MCULE-2886616095.smiles |
| Standard InChI | MCULE-2886616095.inchi |
| InChIKey | MCULE-2886616095.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867596580 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875755355 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869220864 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610984526 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 120 g |
| P-606849662 | AmBeed | In stock | N/A | As is | in stock |
| P-489208370 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596958414 | Angene | Building Blocks in stock | 98 | As is | 10 g |
| P-864124583 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580734685 | BLD pharm | In-stock building blocks | 97 | As is | 250 mg |
| P-851273384 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861280575 | Chiralstar | Chiralstar Building Blocks | 97 | As is | in stock |
| P-889031962 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580410723 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862089471 | FluoroChem | General BB | N/A | As is | in stock |
| P-454405833 | Key Organics | Building Blocks | 97 | As is | 17.925 g |
| P-18815835 | Key Organics | Screening Compounds and Fragments | 97 | As is | 17.925 g |
| P-852423929 | Matrix Scientific | All | N/A | As is | in stock |
| P-854723073 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-596768943 | Synthonix | In-stock Building Blocks | 97 | As is | 20 g |
| P-502401252 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855308605 | Toronto Research | In stock | 90 | As is | in stock |
| P-480897075 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.632 |
| logP | 1.2154 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 48.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 53.0605 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
