Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3447192813
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 | 6 USD | 95 | 14 working days | Get Quote |
| 5 mg | 6 USD | 95 | 14 working days | Get Quote |
| 10 mg | 6 USD | 95 | 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-5449241167
- Component type: Main
-
1
MCULE-6872461833
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3447192813.sdf |
| SMILES | MCULE-3447192813.smiles |
| Standard InChI | MCULE-3447192813.inchi |
| InChIKey | MCULE-3447192813.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-597053791 | 95 | As is | in stock |
| P-867638831 | 95 | Main component | in stock |
| P-875804573 | N/A | Main component | in stock |
| P-597024209 | 95 | Main component | in stock |
| P-590392518 | 95 | Main component | in stock |
| P-903161901 | 95 | Main component | 50 g |
| P-893512894 | 90 | Main component | 65.647 g |
| P-893336594 | 95 | Main component | by synthesis |
| P-851931415 | N/A | Main component | in stock |
| P-489180576 | 97 | Main component | in stock |
| P-597004228 | 98 | Main component | 50 g |
| P-895924216 | 95 | Main component | by resynthesis (? - ? days) |
| P-864215262 | 95 | Main component | by synthesis |
| P-864103910 | 95 | Main component | in stock |
| P-580695794 | 95 | Main component | 36.25 g |
| P-454634292 | 90 | Main component | in stock |
| P-454688900 | 90 | Main component | in stock |
| P-15156852 | 90 | Main component | 56 mg |
| P-436444717 | 90 | Main component | 19.4 g |
| P-350691 | 90 | Main component | 250 mg |
| P-436469240 | 95 | Main component | in stock |
| P-851245287 | 95 | Main component | by synthesis |
| P-868566544 | 96 | Main component | in stock |
| P-868581344 | 98 | Main component | in stock |
| P-34732454 | 90 | Main component | by synthesis |
| P-580415191 | 95 | Main component | by resynthesis (? - ? days) |
| P-575335541 | 95 | Main component | in stock |
| P-861985857 | 95 | Main component | 9.897 g |
| P-905337331 | 95 | Main component | 4 g |
| P-502855850 | 90 | Main component | in stock |
| P-492225044 | 95 | Main component | in stock |
| P-488548962 | 90 | Main component | in stock |
| P-13666486 | 95 | Main component | 300 mg |
| P-454287823 | 90 | Main component | unavailable |
| P-601062665 | 90 | Main component | 53 mg |
| P-14064010 | 95 | Main component | 53 mg |
| P-580504622 | N/A | Main component | by synthesis |
| P-852440404 | N/A | Main component | in stock |
| P-854747804 | 95 | Main component | in stock |
| P-454367831 | 92 | Main component | in stock |
| P-13825374 | 92 | Main component | 300 mg |
| P-885518455 | 95 | Main component | by synthesis |
| P-19550383 | 90 | Main component | in stock |
| P-596759128 | 95 | Main component | 57.5 g |
| P-33443546 | 90 | Main component | in stock |
| P-502341381 | 90 | Main component | in stock |
| P-906775404 | 95 | Main component | by synthesis |
| P-611372190 | 90 | Main component | in stock |
| P-1212492 | 90 | Main component | 3.928 g |
| P-3224761 | 90 | Main component | 3.928 g |
| P-615418194 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 228.585 |
| logP | 1.0936 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 68.81 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.0507 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 6 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| 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 |
