Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3954071017
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 | 98 | 22 working days | Get Quote |
| 5 mg | 25 USD | 98 | 22 working days | Get Quote |
| 10 mg | 26 USD | 95 | 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-3954071017.sdf |
| SMILES | MCULE-3954071017.smiles |
| Standard InChI | MCULE-3954071017.inchi |
| InChIKey | MCULE-3954071017.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867561141 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875721004 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590401976 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893611482 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 10.825 g |
| P-606921218 | AmBeed | In stock | N/A | As is | in stock |
| P-489108777 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-875889235 | Angene | Building Blocks in stock | 98 | As is | 10 g |
| P-580195806 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-494345402 | Apollo Scientific | In Stock | 95 | As is | 760 mg |
| P-889791935 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-481170242 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 1.5 g |
| P-860056236 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-901922318 | BLD pharm | In-stock building blocks | 98 | As is | 1000 mg |
| P-868650335 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580275594 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861933844 | FluoroChem | General BB | N/A | As is | in stock |
| P-454390652 | Key Organics | Building Blocks | 95 | As is | 144 mg |
| P-454294921 | Key Organics | Screening Compounds and Fragments | 95 | As is | 144 mg |
| P-852451615 | Matrix Scientific | All | N/A | As is | in stock |
| P-519757948 | Maybridge | Maybridge Building Blocks | 97 | As is | 12.1 g |
| P-35244928 | Maybridge | Screening Collection | 97 | As is | 12.1 kg |
| P-872798220 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584619831 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888173734 | Molnova | On demand | 98 | As is | by synthesis |
| P-500388767 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-869124675 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892290442 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888638392 | TargetMol | Screening Compounds - stock amount | 95 | As is | 99 mg |
| P-502361550 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611417722 | Toronto Research | In stock | 90 | As is | in stock |
| P-588722316 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| P-894001006 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 205.213 |
| logP | 1.7104 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 68.01 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.3633 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
