Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5491804532
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 | 46 USD | 95 | 21 working days | Get Quote |
| 5 mg | 46 USD | 95 | 21 working days | Get Quote |
| 10 mg | 54 USD | 95 | 21 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-5491804532.sdf |
| SMILES | MCULE-5491804532.smiles |
| Standard InChI | MCULE-5491804532.inchi |
| InChIKey | MCULE-5491804532.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867643885 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-867461737 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-869294021 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-615717143 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893601120 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 43 g |
| P-436450758 | Alinda | Building Blocks | 95 | As is | 25 g |
| P-34851198 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851788321 | AmBeed | On request | N/A | As is | by synthesis |
| P-851909227 | AmBeed | On request | N/A | As is | by synthesis |
| P-889809842 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-563030181 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-504714098 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-454632030 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-454690232 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-607694752 | ChemDiv | Discovery Chemistry Library | 90 | As is | 294.795 g |
| P-34459222 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580774995 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-861929954 | FluoroChem | General BB | N/A | As is | in stock |
| P-887362618 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-855971100 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-580478971 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-491127727 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23858993 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-904094239 | Synthonix | In-stock Building Blocks | 95 | As is | 43.9 g |
| P-33464936 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502341587 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888471993 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611572939 | Toronto Research | In stock | 90 | As is | in stock |
| P-1122490 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 46 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.177 |
| logP | 0.8263 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 45.1248 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
