Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3905211895
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 | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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.
-
MCULE-8891343696
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3905211895.sdf |
| SMILES | MCULE-3905211895.smiles |
| Standard InChI | MCULE-3905211895.inchi |
| InChIKey | MCULE-3905211895.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867576972 | 98 | As is | in stock |
| P-875737188 | N/A | As is | in stock |
| P-869190207 | 95 | As is | in stock |
| P-505350266 | 98 | As is | in stock |
| P-903067356 | 98 | As is | 75 g |
| P-851953920 | N/A | As is | in stock |
| P-489174703 | 97 | As is | in stock |
| P-596992598 | 98 | As is | 1000 g |
| P-494329304 | 95 | As is | by resynthesis (? - ? days) |
| P-864185115 | 95 | As is | in stock |
| P-901144824 | 95 | As is | 15.75 g |
| P-619605636 | 98 | As is | 135 g |
| P-893222139 | 95 | As is | in stock |
| P-454641518 | 90 | As is | in stock |
| P-19949572 | 90 | As is | in stock |
| P-868592613 | 97 | As is | in stock |
| P-34456151 | 90 | As is | by synthesis |
| P-580416435 | 95 | As is | by resynthesis (? - ? days) |
| P-861935188 | 98 | As is | 1.17879 kg |
| P-905330412 | 98 | As is | 27 g |
| P-590341972 | 90 | As is | 3.2 g |
| P-492226904 | 95 | As is | in stock |
| P-855992197 | 98 | As is | 100 mg |
| P-524162313 | 98 | As is | 100 g |
| P-615649734 | 95 | As is | in stock |
| P-856042617 | 90 | As is | 10 g |
| P-31178413 | 90 | As is | 10 g |
| P-860794000 | N/A | As is | by synthesis |
| P-852425702 | N/A | As is | in stock |
| P-854733382 | 95 | As is | in stock |
| P-492286142 | 95 | As is | 4.593 g |
| P-13000189 | 90 | As is | 4.593 g |
| P-500402152 | 98 | As is | by synthesis |
| P-859995546 | 95 | As is | by synthesis |
| P-18843025 | 90 | As is | in stock |
| P-22644369 | 90 | As is | in stock |
| P-502340047 | 90 | As is | in stock |
| P-888452959 | 94 | As is | by resynthesis (? - ? days) |
| P-906778697 | 98 | As is | by synthesis |
| P-611486528 | 90 | As is | in stock |
| P-580449644 | 97 | As is | in stock |
| P-3243709 | 90 | As is | 1.933 g |
| P-680409 | 90 | As is | 1.933 g |
| P-893996681 | 95 | As is | in stock |
| P-869277040 | 95 | As a main component | in stock |
| P-33258430 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.177 |
| logP | 1.3899 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 64.35 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.8306 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
