Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6841482181
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 | 20 USD | 97 | 20 working days | Get Quote |
| 5 mg | 20 USD | 97 | 20 working days | Get Quote |
| 10 mg | 20 USD | 97 | 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-6841482181.sdf |
| SMILES | MCULE-6841482181.smiles |
| Standard InChI | MCULE-6841482181.inchi |
| InChIKey | MCULE-6841482181.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867430106 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
| P-867682683 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-869335269 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-425207791 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851471865 | AmBeed | On request | N/A | As is | by synthesis |
| P-891644963 | AmBeed | In stock | N/A | As is | in stock |
| P-865909035 | Angene | Building Blocks in stock | 97 | As is | 5 g |
| P-889588827 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-3309873 | ChemDiv | Discovery Chemistry Library | 90 | As is | 177 mg |
| P-580302404 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862122189 | FluoroChem | General BB | N/A | As is | in stock |
| P-502518260 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-31257788 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-35197193 | Maybridge | Screening Collection | 90 | As is | 2.568 kg |
| P-34038504 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-500384011 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-19261870 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-855213908 | Toronto Research | In stock | 90 | As is | in stock |
| P-25051904 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 537 mg |
| P-3241113 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 537 mg |
| P-868527078 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| P-872757213 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 234.291 |
| logP | 3.8991 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 73.9075 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
