Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-2206038012-0
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 | 5 USD | 97 | 20 working days | Get Quote |
| 5 mg | 5 USD | 97 | 20 working days | Get Quote |
| 10 mg | 5 USD | 97 | 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-6337217524-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2206038012-0.sdf |
| SMILES | MCULE-2206038012-0.smiles |
| Standard InChI | MCULE-2206038012-0.inchi |
| InChIKey | MCULE-2206038012-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-535627660 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505351229 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893338069 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606864532 | AmBeed | In stock | N/A | As is | in stock |
| P-881654635 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864187789 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893253149 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-505494021 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-611348508 | Toronto Research | In stock | 90 | As is | in stock |
| P-867565279 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
| P-875724844 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869194982 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-580241241 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
| P-606914629 | AmBeed | In stock | N/A | Main component | in stock |
| P-596946833 | Angene | Building Blocks in stock | 97 | Main component | 26.6598 kg |
| P-864106578 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-893226348 | Biosynth | In Stock | 95 | Main component | in stock |
| P-893225072 | Biosynth | In Stock | 95 | Main component | in stock |
| P-890219418 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
| P-590341974 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 13.74 g |
| P-488544581 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-613282255 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-454364182 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-500409378 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-892238548 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892292922 | TargetMol | In Stock BB | 95 | Main component | 1.002 g |
| P-892328409 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 1.002 g |
| P-611348507 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 157.620 |
| logP | 0.8304 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 102.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 35.9082 |
| Atoms | 16 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
