Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6643767795-0
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 | 99 USD | 90 | 22 working days | Get Quote |
| 5 mg | 127 USD | 90 | 17 working days | Get Quote |
| 10 mg | 160 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-9667680967-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6643767795-0.sdf |
| SMILES | MCULE-6643767795-0.smiles |
| Standard InChI | MCULE-6643767795-0.inchi |
| InChIKey | MCULE-6643767795-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867427710 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-3358320 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-454420597 | Key Organics | Building Blocks | 90 | As is | unavailable |
| P-454356741 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-613150692 | Life Chemicals | Screening Compounds | 90 | As is | 190 mg |
| P-852489749 | Matrix Scientific | All | N/A | As is | in stock |
| P-864060191 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-855321508 | Toronto Research | In stock | 90 | As is | in stock |
| P-578539400 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-577146901 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-449710737 | ChemDiv | New Chemistry Library | 90 | Main component | 96 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 239.700 |
| logP | 2.9573 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 50.95 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 64.2397 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
