Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-5337098390
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 | 22 USD | N/A | 14 working days | Get Quote |
| 5 mg | 22 USD | N/A | 14 working days | Get Quote |
| 10 mg | 22 USD | N/A | 14 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-2794105344
- Component type: Main
-
1
MCULE-7907563410
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5337098390.sdf |
| SMILES | MCULE-5337098390.smiles |
| Standard InChI | MCULE-5337098390.inchi |
| InChIKey | MCULE-5337098390.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851558218 | AmBeed | On request | N/A | As is | by synthesis |
| P-855094637 | Toronto Research | In stock | 90 | As is | in stock |
| P-867634192 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875798737 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-865920730 | Angene | Building Blocks in stock | 98 | Main component | 8.5 g |
| P-889850914 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-869124172 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888638042 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-616216539 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-616223445 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-872713115 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-871256288 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-864138267 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-889585547 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-855085839 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-855104617 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 395.447 |
| logP | -2.3854 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 180.22 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 44.8107 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
