Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2088133902
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 | 56 USD | 95 | 11 working days | Get Quote |
| 5 mg | 108 USD | 98 | 22 working days | Get Quote |
| 10 mg | 162 USD | 98 | 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.
-
MCULE-6238383870
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2088133902.sdf |
| SMILES | MCULE-2088133902.smiles |
| Standard InChI | MCULE-2088133902.inchi |
| InChIKey | MCULE-2088133902.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867675525 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875852069 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851638055 | AmBeed | On request | N/A | As is | by synthesis |
| P-489242703 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-864162994 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590865739 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-871220393 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-868523241 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-886717257 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-890179987 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-888623166 | Key Organics | Building Blocks | 95 | As a main component | 1 mg |
| P-869039336 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-888174614 | Molnova | On demand | 98 | As a main component | by synthesis |
| P-888656569 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869161332 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 334.864 |
| logP | 4.8406 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 42.76 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 95.7655 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 19 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
