Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3061172177-0
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 | 36 USD | 95 | 10 working days | Get Quote |
| 5 mg | 36 USD | 95 | 10 working days | Get Quote |
| 10 mg | 36 USD | 95 | 10 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-4490876898-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3061172177-0.sdf |
| SMILES | MCULE-3061172177-0.smiles |
| Standard InChI | MCULE-3061172177-0.inchi |
| InChIKey | MCULE-3061172177-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886671315 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889973543 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869298919 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851763204 | AmBeed | On request | N/A | As is | by synthesis |
| P-590945820 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-901557876 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-861387071 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-895419423 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-611392497 | Toronto Research | In stock | 90 | As is | in stock |
| P-893881229 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-875817316 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-590417755 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851647109 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596448791 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-596496729 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
| P-590928752 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-492250876 | ChemBridge | Building Block Library | 95 | Main component | in stock |
| P-868569847 | Combi-Blocks | Building Block in stock | 95 | Main component | in stock |
| P-861974141 | FluoroChem | General BB | N/A | Main component | in stock |
| P-855949367 | Key Organics | Building Blocks | 95 | Main component | 1000 mg |
| P-852402375 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854886604 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-502384997 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611589503 | Toronto Research | In stock | 90 | Main component | in stock |
| P-893667314 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 229.701 |
| logP | 3.2098 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 44.48 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.5024 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
