Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5315399512
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 | 78 USD | 95 | 11 working days | Get Quote |
| 5 mg | 108 USD | 90 | 16 working days | Get Quote |
| 10 mg | 163 USD | 90 | 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.
| Name | File |
|---|---|
| SDF | MCULE-5315399512.sdf |
| SMILES | MCULE-5315399512.smiles |
| Standard InChI | MCULE-5315399512.inchi |
| InChIKey | MCULE-5315399512.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867677506 | A2B Chem | Predominantly Building Block in stock | 90 | As is | in stock |
| P-875854844 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-610974863 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.11 g |
| P-851888871 | AmBeed | On request | N/A | As is | by synthesis |
| P-873299607 | Angene | Building Blocks in stock | 98 | As is | 10 mg |
| P-864274526 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-591028717 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-878235670 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-887188063 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579481869 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-854621279 | Excenen | Excenen compounds | 98 | As is | in stock |
| P-873251880 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854718586 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-872670397 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608273123 | Molnova | Stock | 98 | As is | in stock |
| P-888656119 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869160894 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 625.673 |
| logP | 5.8986 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 15 |
| PSA | 164.83 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 177.3635 |
| Atoms | 81 |
| Rings | 4 |
| Heavy atoms | 46 |
| Hydrogen atoms | 35 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| 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 |
