Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9646570107-0
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 | 168 USD | 95 | 6 working days | Get Quote |
| 5 mg | 168 USD | 95 | 6 working days | Get Quote |
| 10 mg | 168 USD | 95 | 6 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-8950327250-0
- Component type: Unknown
-
MCULE-1837366554-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9646570107-0.sdf |
| SMILES | MCULE-9646570107-0.smiles |
| Standard InChI | MCULE-9646570107-0.inchi |
| InChIKey | MCULE-9646570107-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872800827 | A2B Chem | Predominantly Building Block on demand | 95 | As a component | by synthesis |
| P-875781955 | AA Blocks | AA Blocks - in stock | N/A | As a component | in stock |
| P-869351158 | AK Scientific | Building Blocks | 95 | As a component | in stock |
| P-881621265 | AmBeed | On request | N/A | As a component | by synthesis |
| P-890229206 | BLD pharm | Non-stock building blocks | 95 | As a component | by synthesis |
| P-861942902 | FluoroChem | General BB | N/A | As a component | in stock |
| P-588712103 | Key Organics | Building Blocks | 95 | As a component | unavailable |
| P-580514139 | Manchester Organics | Stock compounds | 95 | As a component | 7.25 g |
| P-580466834 | Manchester Organics | Compounds on demand | N/A | As a component | by synthesis |
| P-852604598 | Matrix Scientific | All | N/A | As a component | in stock |
| P-611569628 | Toronto Research | In stock | 90 | As a component | in stock |
| P-893671209 | eNovation Chemicals LLC | Building Block on demand | 95 | As a component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 85.005 |
| logP | 0.9367 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 23.06 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 6.7415 |
| Atoms | 5 |
| Rings | 0 |
| Heavy atoms | 5 |
| Hydrogen atoms | 0 |
| Heteroatoms | 4 |
| N/O atoms | 1 |
| 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 |
