Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1751251413-1
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 | 6 USD | N/A | 9 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 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-5211071344-1
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1751251413-1.sdf |
| SMILES | MCULE-1751251413-1.smiles |
| Standard InChI | MCULE-1751251413-1.inchi |
| InChIKey | MCULE-1751251413-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-890180365 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851706645 | AmBeed | On request | N/A | As is | by synthesis |
| P-868545796 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-616199053 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-869161068 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888656302 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-505352404 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-606895065 | AmBeed | In stock | N/A | Main component | in stock |
| P-860055719 | AvaChem Scientific | On demand | 95 | Main component | by synthesis |
| P-524443070 | Key Organics | Biochemicals | 97 | Main component | 4.062 g |
| P-863733188 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-896627879 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-867678391 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-875827615 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875855758 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-870135859 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-619199791 | Angene | Building Blocks in stock | 98 | Main component as a main component | 50 g |
| P-889587359 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-893238747 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-893238768 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-896544268 | Combi-Blocks | Building Block in stock | 96 | Main component as a main component | in stock |
| P-24369729 | InterBioScreen | Screening Compounds | 92 | Main component as a main component | 300 mg |
| P-854716950 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
| P-888172658 | Molnova | On demand | 98 | Main component as a main component | by synthesis |
| P-869163522 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892299716 | TargetMol | In Stock BB | 95 | Main component as a main component | unavailable |
| P-888658869 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | 50 mg |
| P-893965009 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 561.524 |
| logP | 4.631 |
| H-bond acceptors | 10 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 121.28 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 152.4557 |
| Atoms | 70 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 34 |
| Heteroatoms | 13 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
