Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7882949468-1
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 | 18 USD | 92 | 18 working days | Get Quote |
| 5 mg | 26 USD | 98 | 11 working days | Get Quote |
| 10 mg | 26 USD | 98 | 11 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-7882949468-1.sdf |
| SMILES | MCULE-7882949468-1.smiles |
| Standard InChI | MCULE-7882949468-1.inchi |
| InChIKey | MCULE-7882949468-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867643482 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875809945 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590418634 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-436458061 | Alinda | Building Blocks | 95 | As is | in stock |
| P-517167070 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851392008 | AmBeed | On request | N/A | As is | by synthesis |
| P-489112278 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-590719270 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-454718327 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868596175 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889110322 | FluoroChem | In Stock BB | N/A | As is | 3.1 g |
| P-454376629 | Key Organics | Building Blocks | 95 | As is | 52.338 g |
| P-18789160 | Key Organics | Screening Compounds and Fragments | 95 | As is | 52.338 g |
| P-580462446 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852376237 | Matrix Scientific | All | N/A | As is | in stock |
| P-854832717 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-445294107 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-579445973 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885545299 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873221345 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888577806 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611385647 | Toronto Research | In stock | 90 | As is | in stock |
| P-855224616 | Toronto Research | In stock | 90 | As is | in stock |
| P-424741373 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 155 mg |
| P-893742377 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 257.165 |
| logP | 2.2451 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 70.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 56.53 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 6 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
