Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2194139384
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 | 46 USD | 99 | 17 working days | Get Quote |
| 10 mg | 46 USD | 99 | 17 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.
-
MCULE-4339528647
- Component type: Main
-
MCULE-5437587355
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2194139384.sdf |
| SMILES | MCULE-2194139384.smiles |
| Standard InChI | MCULE-2194139384.inchi |
| InChIKey | MCULE-2194139384.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893135803 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-867417546 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-500418144 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
| P-500418145 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
| P-870663246 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
| P-890849845 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-856009925 | Key Organics | Biochemicals | 90 | As is | 100 mg |
| P-579679595 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-19539071 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885522850 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22822496 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-3218755 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.096 g |
| P-1283672 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.096 g |
| P-893722146 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-596575819 | Key Organics | Building Blocks | 97 | As a main component | 5 g |
| P-885550603 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 342.296 |
| logP | -5.3956 |
| H-bond acceptors | 11 |
| H-bond donors | 8 |
| Rotatable bonds | 5 |
| PSA | 189.53 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 68.1574 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 22 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 9 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
