Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6346302604
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 | 8 USD | 95 | 20 working days | Get Quote |
| 5 mg | 8 USD | 95 | 20 working days | Get Quote |
| 10 mg | 8 USD | 95 | 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-6346302604.sdf |
| SMILES | MCULE-6346302604.smiles |
| Standard InChI | MCULE-6346302604.inchi |
| InChIKey | MCULE-6346302604.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867565097 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-869187789 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590379117 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851436171 | AmBeed | On request | N/A | As is | by synthesis |
| P-606870761 | AmBeed | In stock | N/A | As is | in stock |
| P-596946671 | Angene | Building Blocks in stock | 95 | As is | 2.625 kg |
| P-864152717 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580429711 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862094152 | FluoroChem | General BB | N/A | As is | in stock |
| P-488551023 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-524199061 | Key Organics | Building Blocks | 95 | As is | 25 g |
| P-454369264 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-885524022 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579331106 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-596763603 | Synthonix | In-stock Building Blocks | 95 | As is | 2.924 kg |
| P-855362535 | Toronto Research | In stock | 90 | As is | in stock |
| P-855354874 | Toronto Research | In stock | 90 | As is | in stock |
| P-3026777 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-3228380 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| P-615404071 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 158.152 |
| logP | 0.2787 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 37.859 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
