Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-9847283383-0
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 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.
-
1
MCULE-3726900481-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9847283383-0.sdf |
| SMILES | MCULE-9847283383-0.smiles |
| Standard InChI | MCULE-9847283383-0.inchi |
| InChIKey | MCULE-9847283383-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867569794 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875729849 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-596949071 | Angene | Building Blocks in stock | 98 | As is | 100 g |
| P-864112332 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-578134055 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-892237646 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869176287 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892292822 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892327810 | TargetMol | Screening Compounds - stock amount | 95 | As is | 202 mg |
| P-875691460 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-505392037 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-596981502 | Angene | Building Blocks in stock | 97 | Main component | 4 g |
| P-864154428 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-893236863 | Biosynth | In Stock | 95 | Main component | in stock |
| P-854552066 | InterBioScreen | Natural Compounds | 92 | Main component | 210 mg |
| P-892235140 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-869176110 | TargetMol | Natural Products | 95 | Main component | in stock |
| P-892292432 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-892326197 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 199 mg |
| P-575297295 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 365.849 |
| logP | 2.758 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 59.0 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 101.087 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 24 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
