Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9498783535-0
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 | 19 USD | 99 | 20 working days | Get Quote |
| 5 mg | 19 USD | 99 | 20 working days | Get Quote |
| 10 mg | 19 USD | 99 | 20 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-9498783535-0.sdf |
| SMILES | MCULE-9498783535-0.smiles |
| Standard InChI | MCULE-9498783535-0.inchi |
| InChIKey | MCULE-9498783535-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867590340 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-852144261 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-590372851 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-610975841 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 182.9 g |
| P-851462728 | AmBeed | On request | N/A | As is | by synthesis |
| P-851704278 | AmBeed | On request | N/A | As is | by synthesis |
| P-597008476 | Angene | Building Blocks in stock | 99 | As is | 125 g |
| P-866724665 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889585259 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-901510741 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-893229565 | Biosynth | In Stock | 95 | As is | in stock |
| P-577179459 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-10541298 | ChemDiv | Discovery Chemistry Library | 90 | As is | 960 mg |
| P-436452828 | Chemical Intelligence Co Limited | Building Blocks | 95 | As is | 25 g |
| P-578527159 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
| P-862063468 | FluoroChem | General BB | N/A | As is | in stock |
| P-870658447 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-502476010 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454391077 | Key Organics | Building Blocks | 95 | As is | 251 mg |
| P-454296006 | Key Organics | Screening Compounds and Fragments | 95 | As is | 251 mg |
| P-856043014 | LaboTest | Building Blocks | 90 | As is | 2 g |
| P-31179803 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-885527397 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-19574079 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502358728 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-23191941 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855102985 | Toronto Research | In stock | 90 | As is | in stock |
| P-855076011 | Toronto Research | In stock | 90 | As is | in stock |
| P-1577109 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 5 g |
| P-464677987 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 5 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 192.210 |
| logP | 2.1831 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.4108 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
