Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4365643624-0
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-2350869980-0
- Component type: Main
-
MCULE-5182500312-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4365643624-0.sdf |
| SMILES | MCULE-4365643624-0.smiles |
| Standard InChI | MCULE-4365643624-0.inchi |
| InChIKey | MCULE-4365643624-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860638141 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-590358266 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851878369 | AmBeed | On request | N/A | As is | by synthesis |
| P-869990304 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-591098672 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-899785687 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-613292112 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852382850 | Matrix Scientific | All | N/A | As is | in stock |
| P-502349001 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-33529978 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855246774 | Toronto Research | In stock | 90 | As is | in stock |
| P-867670548 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-875844492 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-617752781 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 93 mg |
| P-893663987 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.322 |
| logP | 3.1269 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 30.49 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.1147 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 21 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
