Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3875421873
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 | 54 USD | 97 | 22 working days | Get Quote |
| 5 mg | 54 USD | 97 | 22 working days | Get Quote |
| 10 mg | 54 USD | 97 | 22 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-3875421873.sdf |
| SMILES | MCULE-3875421873.smiles |
| Standard InChI | MCULE-3875421873.inchi |
| InChIKey | MCULE-3875421873.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867694696 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875875074 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-892790812 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893554612 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 6.8 g |
| P-851925941 | AmBeed | In stock | N/A | As is | in stock |
| P-865938991 | Angene | Building Blocks in stock | 97 | As is | 1000 mg |
| P-596490180 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-596370204 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-889581842 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-666959052 | BLD pharm | In-stock building blocks | 97 | As is | 350 mg |
| P-870583849 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-901410213 | FluoroChem | General BB | N/A | As is | in stock |
| P-855963004 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-852380601 | Matrix Scientific | All | N/A | As is | in stock |
| P-869024528 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888900599 | PharmaBlock | In stock | N/A | As is | in stock |
| P-889881726 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502348746 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-893947527 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 259.257 |
| logP | 2.9199 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 79.54 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 69.8135 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
