Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1780868601-0
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 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.
-
1
MCULE-9091970325-1
- Component type: Main
-
1
MCULE-5646000632-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1780868601-0.sdf |
| SMILES | MCULE-1780868601-0.smiles |
| Standard InChI | MCULE-1780868601-0.inchi |
| InChIKey | MCULE-1780868601-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675096736 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-617761743 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 75 mg |
| P-875829803 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-616209148 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-851940927 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-619181056 | Angene | Building Blocks in stock | 98 | Main component as a main component | 671 g |
| P-866728073 | Apollo Scientific | In Stock | 95 | Main component as a main component | in stock |
| P-864198084 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-868611827 | Combi-Blocks | Building Block in stock | 97 | Main component as a main component | in stock |
| P-862090705 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
| P-890849781 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
| P-675330207 | Innovapharm | Virtual Building Blocks | 95 | Main component as a main component | by synthesis |
| P-617814623 | InterBioScreen | Building Blocks | 90 | Main component as a main component | in stock |
| P-617816235 | InterBioScreen | Screening Compounds | 92 | Main component as a main component | 300 mg |
| P-855912904 | Key Organics | Building Blocks | 97 | Main component as a main component | 5 g |
| P-856016653 | LaboTest | Screening Collection | 90 | Main component as a main component | 5 g |
| P-860796482 | Manchester Organics | Stock compounds | 98 | Main component as a main component | 24.8 g |
| P-852598503 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-854738262 | MedChemExpress | In stock Building Blocks | 95 | Main component as a main component | in stock |
| P-674718247 | Pharmeks LLC | Building Blocks | 92 | Main component as a main component | in stock |
| P-674413359 | Pharmeks LLC | Synthetic compounds | 92 | Main component as a main component | in stock |
| P-885545966 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-855348580 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-666982477 | eNovation Chemicals LLC | Building Blocks in stock | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 255.249 |
| logP | 1.7951 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 99.72 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 59.4827 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 9 |
| Heteroatoms | 7 |
| 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 |
