Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3159671679
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 35 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-3159671679.sdf |
| SMILES | MCULE-3159671679.smiles |
| Standard InChI | MCULE-3159671679.inchi |
| InChIKey | MCULE-3159671679.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867599123 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-867605475 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-869374426 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436478704 | Alinda | Building Blocks | 95 | As is | 25 g |
| P-851400516 | AmBeed | On request | N/A | As is | by synthesis |
| P-885360049 | AmBeed | On request | N/A | As is | by synthesis |
| P-864233184 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-563021434 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-454739317 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-855979813 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852536748 | Matrix Scientific | All | N/A | As is | in stock |
| P-12909443 | Otava | In-House Stock Library | 90 | As is | 24.998 g |
| P-492284501 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 24.998 g |
| P-424822286 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-23335701 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502339110 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855223439 | Toronto Research | In stock | 90 | As is | in stock |
| P-855223440 | Toronto Research | In stock | 90 | As is | in stock |
| P-2538556 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 230 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 254.279 |
| logP | 3.3204 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 74.8828 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
