Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9521576689
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 USD | 90 | 22 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-1788406429
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9521576689.sdf |
| SMILES | MCULE-9521576689.smiles |
| Standard InChI | MCULE-9521576689.inchi |
| InChIKey | MCULE-9521576689.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-613314946 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-869089914 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-855270396 | Toronto Research | In stock | 90 | As is | in stock |
| P-892973756 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-894647580 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851449913 | AmBeed | On request | N/A | Main component | by synthesis |
| P-590756463 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-34603172 | Crea-Chim | HTS compounds | 90 | Main component | in stock |
| P-580781993 | Crea-Chim | Building Blocks | 90 | Main component | by resynthesis (? - ? days) |
| P-580770860 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | Main component | in stock |
| P-864028281 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-491135344 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-23883862 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-33469395 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-502347158 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-1238597 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 129 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 294.803 |
| logP | 2.6593 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 100.46 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 75.2111 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 19 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
