Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3646118950
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 | 16 working days | Get Quote |
| 5 mg | 13 USD | 98 | 16 working days | Get Quote |
| 10 mg | 18 USD | 98 | 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-3646118950.sdf |
| SMILES | MCULE-3646118950.smiles |
| Standard InChI | MCULE-3646118950.inchi |
| InChIKey | MCULE-3646118950.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867627235 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875790932 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590360714 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505394659 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505401382 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606850040 | AmBeed | In stock | N/A | As is | in stock |
| P-489243281 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-872724446 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889555075 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860056615 | AvaChem Scientific | All products | 98 | As is | by synthesis |
| P-868545913 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-580721767 | BLD pharm | In-stock building blocks | 98 | As is | 458 mg |
| P-851278660 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-860798309 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-861517702 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579479170 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-580317267 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-868079358 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524166798 | Key Organics | Building Blocks | 95 | As is | 10 mg |
| P-579629169 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-35219753 | Maybridge | Screening Collection | 90 | As is | 2.338 kg |
| P-854711652 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-871075114 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608275033 | Molnova | Stock | 98 | As is | in stock |
| P-491318615 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579712098 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888639735 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869126339 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611389104 | Toronto Research | In stock | 90 | As is | in stock |
| P-854636897 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.307 |
| logP | 3.4392 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 125.59 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.1313 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
