Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3987503314
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 | 14 USD | 98 | 20 working days | Get Quote |
| 5 mg | 14 USD | 98 | 20 working days | Get Quote |
| 10 mg | 14 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.
-
1
MCULE-6983211327
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3987503314.sdf |
| SMILES | MCULE-3987503314.smiles |
| Standard InChI | MCULE-3987503314.inchi |
| InChIKey | MCULE-3987503314.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869334327 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-853441904 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851649041 | AmBeed | On request | N/A | As is | by synthesis |
| P-591019959 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-868631187 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-885533219 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-867590936 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875749966 | AA Blocks | AA Blocks | N/A | Main component | in stock |
| P-881663207 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-575539959 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-596989371 | Angene | Building Blocks in stock | 98 | Main component | 250 g |
| P-864197903 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-591095378 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-4613055 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 5 mg |
| P-868608994 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-502529135 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-596563912 | Key Organics | Building Blocks | 97 | Main component | 1000 mg |
| P-870639489 | Key Organics | Screening Compounds and Fragments | 97 | Main component | 100 mg |
| P-500384377 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-885516086 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-33230281 | TimTec | ActiMol 2 Week | 90 | Main component | in stock |
| P-588799782 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | Main component | by synthesis |
| P-868501435 | eNovation Chemicals LLC | Building Blocks in stock | 98 | Main component | in stock |
| P-875749965 | AA Blocks | AA Blocks | N/A | Main component as a main component | in stock |
| P-869251069 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-619183630 | Angene | Building Blocks in stock | 98 | Main component as a main component | 25 g |
| P-864197904 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-591024312 | BLD pharm | Non-stock building blocks | 98 | Main component as a main component | by synthesis |
| P-868603291 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-580435505 | Debye Scientific | General Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-855955121 | Key Organics | Building Blocks | 97 | Main component as a main component | 25 g |
| P-31194386 | LaboTest | Screening Collection | 90 | Main component as a main component | unavailable |
| P-500402777 | Pi Chemicals | Virtual Compounds | 95 | Main component as a main component | by synthesis |
| P-885533220 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-611485727 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-868501229 | eNovation Chemicals LLC | Building Blocks in stock | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 312.344 |
| logP | 4.1032 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 130.26 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 81.1037 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 16 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
