Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4609158745
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 | 53 USD | 95 | 11 working days | Get Quote |
| 5 mg | 105 USD | 98 | 22 working days | Get Quote |
| 10 mg | 175 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-5184959423
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4609158745.sdf |
| SMILES | MCULE-4609158745.smiles |
| Standard InChI | MCULE-4609158745.inchi |
| InChIKey | MCULE-4609158745.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852189488 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
| P-890158616 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869236542 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-875890655 | Angene | Building Blocks in stock | 98 | As is | 500 mg |
| P-580452581 | CliniSciences S.A.S | All products | 99 | As is | unavailable |
| P-855052555 | Toronto Research | In stock | 90 | As is | in stock |
| P-867678173 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
| P-875855191 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-887312120 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-872726264 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-889521702 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-590778476 | BLD pharm | Non-stock building blocks | 98 | As a main component | by synthesis |
| P-887190684 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-579479405 | DC Chemicals Limited | Stock Products | 95 | As a main component | in stock |
| P-873245253 | Key Organics | Building Blocks | 97 | As a main component | 5 mg |
| P-863723109 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-871071953 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-888174036 | Molnova | On demand | 98 | As a main component | by synthesis |
| P-888641024 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-888641025 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869128219 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-869128220 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-611517796 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-868535723 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 333.340 |
| logP | 3.2641 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 70.15 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 94.69 |
| Atoms | 40 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
