Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4176862280
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 | 46 USD | 98 | 16 working days | Get Quote |
| 5 mg | 100 USD | 98 | 22 working days | Get Quote |
| 10 mg | 160 USD | 98 | 22 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.
-
MCULE-3146713291
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4176862280.sdf |
| SMILES | MCULE-4176862280.smiles |
| Standard InChI | MCULE-4176862280.inchi |
| InChIKey | MCULE-4176862280.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867653626 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875820615 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869368364 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851789123 | AmBeed | On request | N/A | As is | by synthesis |
| P-489203869 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-865924696 | Angene | Building Blocks in stock | 98 | As is | 200 mg |
| P-872722405 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889459023 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-868545027 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-851278849 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-887324319 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-608497050 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-854621811 | Excenen | Excenen compounds | 98 | As is | in stock |
| P-868078341 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524177399 | Key Organics | Building Blocks | 97 | As is | unavailable |
| P-854713329 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474024392 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888171308 | Molnova | On demand | 98 | As is | by synthesis |
| P-579712877 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888657643 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869162263 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-860798368 | Chiralstar | Chiralstar Building Blocks | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 582.713 |
| logP | 5.2543 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 106.5 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 181.1987 |
| Atoms | 76 |
| Rings | 7 |
| Heavy atoms | 42 |
| Hydrogen atoms | 34 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| 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 |
