Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4530480482-0
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 | 34 USD | 90 | 19 working days | Get Quote |
| 5 mg | 47 USD | 97 | 22 working days | Get Quote |
| 10 mg | 47 USD | 97 | 22 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-4530480482-0.sdf |
| SMILES | MCULE-4530480482-0.smiles |
| Standard InChI | MCULE-4530480482-0.inchi |
| InChIKey | MCULE-4530480482-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867671465 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875845605 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869289211 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893443522 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 14.772 g |
| P-606870603 | AmBeed | In stock | N/A | As is | in stock |
| P-865928265 | Angene | Building Blocks in stock | 97 | As is | 14.772 g |
| P-864193289 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590631135 | BLD pharm | In-stock building blocks | 97 | As is | 6.25 g |
| P-504734108 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-454758100 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-619859612 | ChemDiv | Discovery Chemistry Library | 90 | As is | 21 mg |
| P-861381564 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34525540 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580777635 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
| P-580766932 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | As is | in stock |
| P-861947378 | FluoroChem | General BB | N/A | As is | in stock |
| P-855923216 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-580480630 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852603011 | Matrix Scientific | All | N/A | As is | in stock |
| P-854799935 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888895501 | PharmaBlock | In stock | N/A | As is | in stock |
| P-23869149 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491070329 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-33466579 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502343484 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-596526741 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.057 g |
| P-1175291 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.057 g |
| P-868512192 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.228 |
| logP | 0.9004 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 72.94 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 56.9483 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
