Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2795129925-1
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 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.
-
MCULE-7873290711-0
- Component type: Main
-
MCULE-4306276668-0
- Component type: Main
-
MCULE-5989799433-0
- Component type: Main
-
MCULE-8752609733-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2795129925-1.sdf |
| SMILES | MCULE-2795129925-1.smiles |
| Standard InChI | MCULE-2795129925-1.inchi |
| InChIKey | MCULE-2795129925-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886548186 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-860606288 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-889901473 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| P-889905655 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| P-875689170 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-875830829 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869193189 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-505347157 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-590367326 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
| P-874628373 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
| P-851436188 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-851679746 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-881624712 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-606838925 | AmBeed | In stock | N/A | As a main component | in stock |
| P-489239294 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-865904443 | Angene | Building Blocks in stock | 99 | As a main component | 50 g |
| P-596925779 | Angene | Building Blocks in stock | 98 | As a main component | 16 kg |
| P-596972922 | Angene | Building Blocks in stock | 98 | As a main component | 9.695 kg |
| P-889850381 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-887314689 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-864197844 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-890233047 | BLD pharm | Non-stock building blocks | 98 | As a main component | by synthesis |
| P-619590665 | BLD pharm | Non-stock building blocks | 99 | As a main component | by synthesis |
| P-619595498 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
| P-868605167 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
| P-868630932 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
| P-500418083 | Glentham Life Sciences | Compounds maintained in stock | 98 | As a main component | in stock |
| P-855920675 | Key Organics | Building Blocks | 97 | As a main component | 1000 g |
| P-524161471 | Key Organics | Building Blocks | 98 | As a main component | 100 mg |
| P-855913454 | Key Organics | Building Blocks | 97 | As a main component | 100 g |
| P-31248896 | LaboTest | Screening Collection | 90 | As a main component | unavailable |
| P-622582500 | Otava | Tangible screening compounds | 90 | As a main component | by synthesis |
| P-885537077 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-888647947 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869144049 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-611448135 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-855346633 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-886962196 | eNovation Chemicals LLC | Building Block on demand | 98 | As a main component | by synthesis |
| P-666975221 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As a main component | in stock |
| P-868506889 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| P-868526098 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 199.309 |
| logP | 2.6572 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 10 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 59.6275 |
| Atoms | 37 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 23 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
