Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9913724461-0
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 | 30 USD | 98 | 16 working days | Get Quote |
| 5 mg | 30 USD | 98 | 16 working days | Get Quote |
| 10 mg | 48 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.
-
1
MCULE-5845854445-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9913724461-0.sdf |
| SMILES | MCULE-9913724461-0.smiles |
| Standard InChI | MCULE-9913724461-0.inchi |
| InChIKey | MCULE-9913724461-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867646312 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875813270 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-874634434 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-610974966 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | unavailable |
| P-889751464 | AmBeed | In stock | N/A | As is | in stock |
| P-881108726 | Angene | Building Blocks in stock | 98 | As is | 1000 mg |
| P-580195735 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864228914 | AstaTech | Backordered BBs | 97 | As is | by synthesis |
| P-860056533 | AvaChem Scientific | All products | 98 | As is | by synthesis |
| P-868545468 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-890236962 | BLD pharm | In-stock building blocks | 98 | As is | 1000 mg |
| P-871219440 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-580451081 | CliniSciences S.A.S | All products | 98 | As is | in stock |
| P-887184626 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-873244738 | Key Organics | Building Blocks | 97 | As is | 10 mg |
| P-854713656 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474026015 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888171558 | Molnova | On demand | 98 | As is | by synthesis |
| P-878643188 | Molnova | Stock | 98 | As is | in stock |
| P-892293241 | TargetMol | In Stock BB | 95 | As is | in stock |
| P-869148682 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888649849 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-596714663 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 20 mg |
| P-611378583 | Toronto Research | In stock | 90 | As is | in stock |
| P-852068848 | A2B Chem | Predominantly Building Block on demand | 98 | Main component | by synthesis |
| P-889901194 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-851572090 | AmBeed | On request | N/A | Main component | by synthesis |
| P-590899779 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-851279923 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-869148664 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888649839 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 353.881 |
| logP | 3.5038 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 38.77 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 100.893 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 28 |
| 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 |
