Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1333744381-0
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 | 6 USD | 98 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 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.
| Name | File |
|---|---|
| SDF | MCULE-1333744381-0.sdf |
| SMILES | MCULE-1333744381-0.smiles |
| Standard InChI | MCULE-1333744381-0.inchi |
| InChIKey | MCULE-1333744381-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-34858424 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436471963 | Alinda | Building Blocks | 95 | As is | in stock |
| P-596927206 | Angene | Building Blocks in stock | 98 | As is | 1000 g |
| P-494349457 | Apollo Scientific | In Stock | 95 | As is | 49 g |
| P-864126671 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-454728008 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868579909 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-861959293 | FluoroChem | General BB | 98 | As is | in stock |
| P-870653887 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-505494115 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454401127 | Key Organics | Building Blocks | 97 | As is | 958 mg |
| P-454317678 | Key Organics | Screening Compounds and Fragments | 97 | As is | 958 mg |
| P-873389494 | Manchester Organics | Stock compounds | 95 | As is | 25 g |
| P-852450169 | Matrix Scientific | All | N/A | As is | in stock |
| P-579703220 | Sinova Inc. | In-stock Building Blocks | N/A | As is | in stock |
| P-896082302 | Specs | Repurposed Compounds | N/A | As is | 21 mg |
| P-502326396 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22453202 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 138 mg |
| P-611496927 | Toronto Research | In stock | 90 | As is | in stock |
| P-575297739 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 150.142 |
| logP | 0.6797 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 106.5 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 40.4925 |
| Atoms | 17 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 6 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
