Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3888320308
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 | 66 USD | 95 | 10 working days | Get Quote |
| 5 mg | 82 USD | 95 | 10 working days | Get Quote |
| 10 mg | 111 USD | 95 | 10 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-3888320308.sdf |
| SMILES | MCULE-3888320308.smiles |
| Standard InChI | MCULE-3888320308.inchi |
| InChIKey | MCULE-3888320308.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852126651 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-875839088 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851918514 | AmBeed | On request | N/A | As is | by synthesis |
| P-579783896 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-611202149 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-861365392 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-855373584 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-492229699 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502496490 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454383028 | Key Organics | Building Blocks | 95 | As is | 869 mg |
| P-18793887 | Key Organics | Screening Compounds and Fragments | 95 | As is | 869 mg |
| P-884909815 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852549040 | Matrix Scientific | All | N/A | As is | in stock |
| P-854887242 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-856067305 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1000 mg |
| P-33985427 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502389033 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611578860 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.202 |
| logP | 2.5182 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.68 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
