Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2855691287-0
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 | 27 USD | N/A | 9 working days | Get Quote |
| 5 mg | 43 USD | N/A | 9 working days | Get Quote |
| 10 mg | 68 USD | 98 | 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-2855691287-0.sdf |
| SMILES | MCULE-2855691287-0.smiles |
| Standard InChI | MCULE-2855691287-0.inchi |
| InChIKey | MCULE-2855691287-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872839663 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875870429 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-874627833 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893608579 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.002 g |
| P-851941032 | AmBeed | In stock | N/A | As is | in stock |
| P-865936827 | Angene | Building Blocks in stock | 98 | As is | 200 mg |
| P-889568149 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-613258175 | BLD pharm | In-stock building blocks | 98 | As is | unavailable |
| P-868361687 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861286294 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-861379920 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-868658698 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-854621292 | Excenen | Excenen compounds | 98 | As is | in stock |
| P-873245967 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854714813 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-871068826 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608274336 | Molnova | Stock | 98 | As is | in stock |
| P-594275482 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892298340 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888658089 | TargetMol | Screening Compounds - stock amount | 95 | As is | 202 mg |
| P-868525465 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 392.232 |
| logP | 5.5917 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 87.39 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 100.3534 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 15 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
