Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9747489063
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 | 8 USD | 99 | 20 working days | Get Quote |
| 5 mg | 8 USD | 99 | 20 working days | Get Quote |
| 10 mg | 8 USD | 99 | 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-9747489063.sdf |
| SMILES | MCULE-9747489063.smiles |
| Standard InChI | MCULE-9747489063.inchi |
| InChIKey | MCULE-9747489063.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867587980 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875747138 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-505399617 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851521629 | AmBeed | On request | N/A | As is | by synthesis |
| P-851564228 | AmBeed | On request | N/A | As is | by synthesis |
| P-489228436 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596989071 | Angene | Building Blocks in stock | 99 | As is | 1.3 kg |
| P-864146334 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590929690 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-666940871 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-868603515 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889113174 | FluoroChem | In Stock BB | N/A | As is | 57 g |
| P-596567190 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-31248906 | LaboTest | Screening Collection | 90 | As is | 30 mg |
| P-852464877 | Matrix Scientific | All | N/A | As is | in stock |
| P-872528927 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474025074 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888172262 | Molnova | On demand | 98 | As is | by synthesis |
| P-885537057 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-855352332 | Toronto Research | In stock | 90 | As is | in stock |
| P-615413340 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 274.396 |
| logP | 2.8037 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 14 |
| PSA | 66.76 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 77.8276 |
| Atoms | 49 |
| Rings | 0 |
| Heavy atoms | 19 |
| Hydrogen atoms | 30 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
