Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2313083592-0
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 | 104 USD | 95 | 24 working days | Get Quote |
| 5 mg | 104 USD | 95 | 24 working days | Get Quote |
| 10 mg | 104 USD | 95 | 24 working days | Get Quote |
- 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-1908866015-0
- Component type: Unknown
-
MCULE-6251601881-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2313083592-0.sdf |
| SMILES | MCULE-2313083592-0.smiles |
| Standard InChI | MCULE-2313083592-0.inchi |
| InChIKey | MCULE-2313083592-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903015358 | 99 | As is | 4 g |
| P-889039455 | 95 | As is | by synthesis |
| P-889290329 | 95 | As is | 1000 mg |
| P-1274582819 | 95 | As is | in stock |
| P-666947611 | 98 | As a main component | by synthesis |
| P-1274920534 | 95 | As a main component | in stock |
| P-895700273 | 95 | As a main component | by synthesis |
| P-906804353 | 98 | As a main component | by synthesis |
| P-906817293 | 97 | As a main component | by synthesis |
| P-906809102 | 97 | As a main component | by synthesis |
| P-906790423 | 98 | As a main component | by synthesis |
| P-906788001 | 97 | As a main component | by synthesis |
| P-906826677 | 98 | As a main component | by synthesis |
| P-906874054 | 95 | As a main component | by synthesis |
| P-906824266 | 97 | As a main component | by synthesis |
| P-906849738 | 98 | As a main component | by synthesis |
| P-906815442 | 97 | As a main component | by synthesis |
| P-906789479 | 97 | As a main component | by synthesis |
| P-906828520 | 98 | As a main component | by synthesis |
| P-906814959 | 97 | As a main component | by synthesis |
| P-906788596 | 97 | As a main component | by synthesis |
| P-674396755 | 98 | As a component | by synthesis |
| P-854772293 | 95 | As a component | by synthesis |
| P-892856769 | 95 | As an isomer | in stock |
| P-901187648 | 95 | As an isomer | by synthesis |
| P-904748838 | N/A | As an isomer | by synthesis |
| P-905540768 | 95 | As an isomer | by synthesis |
| P-855918262 | 97 | As an isomer | 500 mg |
| P-895246302 | 95 | As an isomer | by synthesis |
| P-593285291 | 95 | As an isomer | by synthesis |
| P-1271411174 | 95 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 140.226 |
| logP | 1.148 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 24.06 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.7754 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
