Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3669241621
Compound
Show structures
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 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 53 USD | 98 | 8 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.
-
MCULE-8245576572
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3669241621.sdf |
| SMILES | MCULE-3669241621.smiles |
| Standard InChI | MCULE-3669241621.inchi |
| InChIKey | MCULE-3669241621.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505573008 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-580450437 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-861300508 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-608220024 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-881187608 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-881187694 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-881189307 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-13505586 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| P-23969971 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-868130034 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885530751 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-578064529 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 319 mg |
| P-855984241 | Key Organics | Building Blocks | 95 | As a component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 267.242 |
| logP | -0.33124 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 134.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.9298 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 13 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
