Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7287583405
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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 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-7287583405.sdf |
| SMILES | MCULE-7287583405.smiles |
| Standard InChI | MCULE-7287583405.inchi |
| InChIKey | MCULE-7287583405.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885941971 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-852142483 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-894621505 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436464167 | Alinda | Building Blocks | 95 | As is | 2 g |
| P-851429394 | AmBeed | On request | N/A | As is | by synthesis |
| P-454720260 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-503145683 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-13297250 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-855975190 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-14293178 | Life Chemicals | Screening Compounds | 90 | As is | 37 mg |
| P-26369391 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-424826441 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33913867 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502354277 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855311052 | Toronto Research | In stock | 90 | As is | in stock |
| P-2707561 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 155 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 256.227 |
| logP | 3.1475 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.8005 |
| Atoms | 28 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
