Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3857003509
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 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-3857003509.sdf |
| SMILES | MCULE-3857003509.smiles |
| Standard InChI | MCULE-3857003509.inchi |
| InChIKey | MCULE-3857003509.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867539172 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875695293 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869193807 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-869335482 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-505393946 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580239055 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606882279 | AmBeed | In stock | N/A | As is | in stock |
| P-489116393 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596937492 | Angene | Building Blocks in stock | 98 | As is | 2.15 kg |
| P-895935358 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864102972 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580699397 | BLD pharm | In-stock building blocks | 95 | As is | 615 g |
| P-851272468 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868578670 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580426108 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861985884 | FluoroChem | General BB | 95 | As is | in stock |
| P-505493764 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-18778409 | Key Organics | Screening Compounds and Fragments | 90 | As is | 754 mg |
| P-579663813 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-580487867 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852441986 | Matrix Scientific | All | N/A | As is | in stock |
| P-895220286 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500388186 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19347171 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885549496 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596736480 | Synthonix | In-stock Building Blocks | 95 | As is | 2.41 kg |
| P-873223799 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-25155045 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 966 mg |
| P-615395844 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 321.082 |
| logP | 4.23298 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 67.63 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 67.7054 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 5 |
| Heteroatoms | 9 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| 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 |
