Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4245995624-0
Structure
Show compound
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.
-
1
MCULE-8131288281-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4245995624-0.sdf |
| SMILES | MCULE-4245995624-0.smiles |
| Standard InChI | MCULE-4245995624-0.inchi |
| InChIKey | MCULE-4245995624-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886686044 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889987499 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-851606873 | AmBeed | On request | N/A | As is | by synthesis |
| P-611203996 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-895424780 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-611426282 | Toronto Research | In stock | 90 | As is | in stock |
| P-893852360 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-867535191 | A2B Chem | Predominantly Building Block in stock | 90 | Main component | in stock |
| P-875690175 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-590401374 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-893512524 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 957.115 g |
| P-436445821 | Alinda | Building Blocks | 95 | Main component | in stock |
| P-606898816 | AmBeed | In stock | N/A | Main component | in stock |
| P-489113037 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-596936038 | Angene | Building Blocks in stock | 98 | Main component | 347 g |
| P-494346472 | Apollo Scientific | In Stock | 95 | Main component | 10.95 g |
| P-864111591 | AstaTech | In Stock BBs | 97 | Main component | in stock |
| P-481169687 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | Main component | 10 g |
| P-584630340 | BLD pharm | In-stock building blocks | 97 | Main component | 62 g |
| P-619933698 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-851306778 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868643595 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-34590880 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
| P-580781419 | Crea-Chim | Building Blocks | 95 | Main component | by resynthesis (? - ? days) |
| P-580770396 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | Main component | in stock |
| P-889113735 | FluoroChem | In Stock BB | 97 | Main component | 1000 mg |
| P-505544035 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-502565144 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-488548157 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-13612801 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
| P-454376885 | Key Organics | Building Blocks | 95 | Main component | 20.571 g |
| P-18789421 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 20.571 g |
| P-601048401 | Life Chemicals | Screening Compounds | 90 | Main component | 1.07 g |
| P-25840782 | Life Chemicals | Building Blocks | 95 | Main component | 1.07 g |
| P-580469423 | Manchester Organics | Compounds on demand | 95 | Main component | by synthesis |
| P-852404693 | Matrix Scientific | All | N/A | Main component | in stock |
| P-519750343 | Maybridge | Maybridge Building Blocks | 97 | Main component | 29 g |
| P-428011852 | Maybridge | Screening Collection | 97 | Main component | 29 kg |
| P-854731204 | MedChemExpress | In stock Building Blocks | 95 | Main component | in stock |
| P-13732500 | Pharmeks LLC | Synthetic compounds | 92 | Main component | 300 mg |
| P-23883445 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-889863077 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-596761899 | Synthonix | In-stock Building Blocks | 97 | Main component | 269.25 g |
| P-33468979 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-502346649 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611426281 | Toronto Research | In stock | 90 | Main component | in stock |
| P-1237371 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 56 mg |
| P-854646526 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 176.599 |
| logP | 1.5267 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.444 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
