Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1050522183-0
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 | 21 USD | N/A | 9 working days | Get Quote |
| 5 mg | 27 USD | N/A | 9 working days | Get Quote |
| 10 mg | 33 USD | N/A | 9 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-2628925354-0
- Component type: Main
-
MCULE-7765957652-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1050522183-0.sdf |
| SMILES | MCULE-1050522183-0.smiles |
| Standard InChI | MCULE-1050522183-0.inchi |
| InChIKey | MCULE-1050522183-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867553185 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875711801 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-894629017 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893292261 | AmBeed | In stock | N/A | As is | in stock |
| P-868826134 | Angene | Building Blocks in stock | 95 | As is | 3 g |
| P-881038584 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868078508 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-885855382 | J&W Pharmlab | In-stock compounds | 96 | As is | in stock |
| P-594274377 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892295910 | TargetMol | In Stock BB | 95 | As is | 1.226 g |
| P-888656813 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.226 g |
| P-580080704 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-892890878 | A2B Chem | Predominantly Building Block in stock | 99 | As a main component | in stock |
| P-867498815 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-890181873 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869261550 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-891663762 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-900254163 | Angene | Building Blocks in stock | 98 | As a main component | 1000 mg |
| P-869161525 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-888656814 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | unavailable |
| P-855344692 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 285.344 |
| logP | 1.9462 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 73.91 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 86.0734 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 19 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
