Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2770722227
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 | 18 USD | 98 | 16 working days | Get Quote |
| 5 mg | 40 USD | 98 | 20 working days | Get Quote |
| 10 mg | 64 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.
-
MCULE-8711467927
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2770722227.sdf |
| SMILES | MCULE-2770722227.smiles |
| Standard InChI | MCULE-2770722227.inchi |
| InChIKey | MCULE-2770722227.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872837619 | A2B Chem | Predominantly Building Block in stock | 10 | As is | in stock |
| P-875858751 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881618955 | AmBeed | On request | N/A | As is | by synthesis |
| P-890226506 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-675215259 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-888621055 | Key Organics | Building Blocks | 95 | As is | 1 mg |
| P-888169902 | Molnova | On demand | 98 | As is | by synthesis |
| P-888628032 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869109387 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611430717 | Toronto Research | In stock | 90 | As is | in stock |
| P-867680948 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
| P-875858760 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869306383 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-891658502 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-606852108 | AmBeed | In stock | N/A | As a main component | in stock |
| P-865932246 | Angene | Building Blocks in stock | 98 | As a main component | 531 mg |
| P-596660378 | Apollo Scientific | In Stock | 95 | As a main component | in stock |
| P-864300977 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-590600297 | BLD pharm | In-stock building blocks | 98 | As a main component | 531 mg |
| P-861380748 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-855925666 | Key Organics | Building Blocks | 97 | As a main component | 5 mg |
| P-854713202 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-871075218 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-888169901 | Molnova | On demand | 98 | As a main component | by synthesis |
| P-617404398 | Selleckchem | Product Catalog | N/A | As a main component | in stock |
| P-888628033 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-888628034 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869109388 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-869109389 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-868533077 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 414.138 |
| logP | 3.6193 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 33.09 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 100.3787 |
| Atoms | 39 |
| Rings | 4 |
| Heavy atoms | 21 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |
