Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5696684135
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 | 7 USD | 98 | 16 working days | Get Quote |
| 5 mg | 7 USD | 98 | 16 working days | Get Quote |
| 10 mg | 7 USD | 98 | 16 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-5696684135.sdf |
| SMILES | MCULE-5696684135.smiles |
| Standard InChI | MCULE-5696684135.inchi |
| InChIKey | MCULE-5696684135.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867592275 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875750182 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869194894 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505352998 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606933904 | AmBeed | In stock | N/A | As is | in stock |
| P-596955985 | Angene | Building Blocks in stock | 98 | As is | 4.5 kg |
| P-494347183 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864102796 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-889740481 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 6 g |
| P-878232996 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-619929820 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-868577243 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580401313 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862020623 | FluoroChem | General BB | N/A | As is | in stock |
| P-675514469 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-675478178 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-454416330 | Key Organics | Building Blocks | 95 | As is | 117 mg |
| P-454349822 | Key Organics | Screening Compounds and Fragments | 95 | As is | 117 mg |
| P-31257017 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-580477072 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852505160 | Matrix Scientific | All | N/A | As is | in stock |
| P-854729668 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-888760622 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 5 g |
| P-888759290 | Otava | In-House Stock Library | 90 | As is | 5 g |
| P-500374022 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-424841331 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885528485 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596775108 | Synthonix | In-stock Building Blocks | 95 | As is | 24.76 g |
| P-502371195 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611522344 | Toronto Research | In stock | 90 | As is | in stock |
| P-611431485 | Toronto Research | In stock | 90 | As is | in stock |
| P-35084812 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 5 g |
| P-615433818 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 152.147 |
| logP | 1.3988 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 40.3903 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
