Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8231178802
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 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 82 USD | 90 | 30 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-8231178802.sdf |
| SMILES | MCULE-8231178802.smiles |
| Standard InChI | MCULE-8231178802.inchi |
| InChIKey | MCULE-8231178802.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875815804 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-610979848 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 75.35 g |
| P-606924689 | AmBeed | In stock | N/A | As is | in stock |
| P-596970430 | Angene | Building Blocks in stock | 95 | As is | 10 g |
| P-864163542 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-666956239 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-577179359 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-861433753 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-889360451 | FluoroChem | General BB | N/A | As is | in stock |
| P-890209778 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579515960 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-502473044 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-524173809 | Key Organics | Building Blocks | 95 | As is | unavailable |
| P-579676014 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-854798279 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888892428 | PharmaBlock | In stock | N/A | As is | in stock |
| P-23837771 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-870515690 | Synthonix | In-stock Building Blocks | 97 | As is | 14.35 g |
| P-611482163 | Toronto Research | In stock | 90 | As is | in stock |
| P-3242641 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 8 mg |
| P-470065 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 8 mg |
| P-615391645 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.214 |
| logP | 1.4885 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 81.78 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 53.6782 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
