Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9588021448-0
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 | 6 USD | 98 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 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-8803859737-1
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9588021448-0.sdf |
| SMILES | MCULE-9588021448-0.smiles |
| Standard InChI | MCULE-9588021448-0.inchi |
| InChIKey | MCULE-9588021448-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-861387777 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-867613376 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-867457754 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-875773930 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-597026144 | AEchem | Building blocks | 95 | Main component | in stock |
| P-590403852 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-903115057 | Aaron Chemicals LLC | Predominantly Building Block | 95 | Main component | 15 g |
| P-856055383 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
| P-606875112 | AmBeed | In stock | N/A | Main component | in stock |
| P-596938670 | Angene | Building Blocks in stock | 98 | Main component | 500 g |
| P-596482066 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
| P-595588193 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-864108011 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-580704512 | BLD pharm | In-stock building blocks | 95 | Main component | 25 g |
| P-492255604 | ChemBridge | Building Block Library | 95 | Main component | in stock |
| P-4150040 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 100 mg |
| P-619934681 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-436449813 | Chemical Intelligence Co Limited | Building Blocks | 95 | Main component | 25 g |
| P-20013175 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | Main component | in stock |
| P-868604524 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-901386092 | FluoroChem | In Stock BB | N/A | Main component | 10 g |
| P-890212609 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
| P-579523822 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 6.7 g |
| P-503002591 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-492239167 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-579627306 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
| P-580502739 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-852384648 | Matrix Scientific | All | N/A | Main component | in stock |
| P-579715200 | Paragos | In-stock compounds | N/A | Main component | in stock |
| P-888861686 | PharmaBlock | In stock | N/A | Main component | in stock |
| P-454369943 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-33482757 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-903611280 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-611389602 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 271.895 |
| logP | 1.8285 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.286 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 4 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
