Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8196400007
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 | 112 USD | 95 | 14 working days | Get Quote |
| 5 mg | 112 USD | 95 | 14 working days | Get Quote |
| 10 mg | 112 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-8196400007.sdf |
| SMILES | MCULE-8196400007.smiles |
| Standard InChI | MCULE-8196400007.inchi |
| InChIKey | MCULE-8196400007.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875814641 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-595216419 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610984542 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 311.71 g |
| P-851930290 | AmBeed | In stock | N/A | As is | in stock |
| P-489201651 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-619162466 | Angene | Building Blocks in stock | 98 | As is | 10 g |
| P-895940045 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864122665 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-613257539 | BLD pharm | In-stock building blocks | 95 | As is | 2.2 g |
| P-851247900 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861282056 | Chiralstar | Chiralstar Building Blocks | 97 | As is | in stock |
| P-861494906 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580351815 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862094455 | FluoroChem | General BB | 95 | As is | in stock |
| P-890218514 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590340944 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-500158045 | J&W Pharmlab | In-stock compounds | 97 | As is | in stock |
| P-855986550 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-580461444 | Manchester Organics | Compounds on demand | 97 | As is | by synthesis |
| P-852493692 | Matrix Scientific | All | N/A | As is | in stock |
| P-874448079 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-888870795 | PharmaBlock | In stock | N/A | As is | in stock |
| P-859994992 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-498729762 | Synthonix | In-stock Building Blocks | 95 | As is | 130 g |
| P-855216350 | Toronto Research | In stock | 90 | As is | in stock |
| P-590444766 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 239.310 |
| logP | 2.447 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 46.61 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 69.138 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 21 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
