Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-3514254258-0
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 | 5 USD | 95 | 16 working days | Get Quote |
| 5 mg | 5 USD | 95 | 16 working days | Get Quote |
| 10 mg | 5 USD | 95 | 16 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-3514254258-0.sdf |
| SMILES | MCULE-3514254258-0.smiles |
| Standard InChI | MCULE-3514254258-0.inchi |
| InChIKey | MCULE-3514254258-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867659122 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875827271 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851928573 | AmBeed | In stock | N/A | As is | in stock |
| P-865926005 | Angene | Building Blocks in stock | 80 | As is | 200 g |
| P-864144595 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-492272669 | Eximed | Building Block Catalog | 95 | As is | 3.74 g |
| P-428624417 | Eximed | In-stock screening compounds | 90 | As is | 3.74 g |
| P-505492203 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-580039723 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492245533 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488556197 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-488544909 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-620218912 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 3.74 g |
| P-674817272 | Otava | In-House Stock Library | 90 | As is | 3.74 g |
| P-454365181 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500374228 | Pi Chemicals | Virtual Compounds | N/A | As is | by synthesis |
| P-886937295 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 446.360 |
| logP | 0.1422 |
| H-bond acceptors | 11 |
| H-bond donors | 6 |
| Rotatable bonds | 4 |
| PSA | 187.12 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 106.7212 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 18 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
