Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7527631705-1
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 | 12 USD | 98 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 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.
| Name | File |
|---|---|
| SDF | MCULE-7527631705-1.sdf |
| SMILES | MCULE-7527631705-1.smiles |
| Standard InChI | MCULE-7527631705-1.inchi |
| InChIKey | MCULE-7527631705-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867623264 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875785474 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-580243134 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606856953 | AmBeed | In stock | N/A | As is | in stock |
| P-596964778 | Angene | Building Blocks in stock | 98 | As is | 3 kg |
| P-580696138 | BLD pharm | In-stock building blocks | 98 | As is | 15 g |
| P-851278061 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868596929 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-26442006 | Otava | In-House Stock Library | 90 | As is | 520 mg |
| P-492281135 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 520 mg |
| P-885545281 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596757774 | Synthonix | In-stock Building Blocks | 98 | As is | 45 g |
| P-502329117 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22499349 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-611364837 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 185.631 |
| logP | 3.1438 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 61.02 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.4087 |
| Atoms | 15 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
