Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4116382006-1
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 | 7 USD | 99 | 14 working days | Get Quote |
| 5 mg | 7 USD | 99 | 14 working days | Get Quote |
| 10 mg | 7 USD | 99 | 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-9764702574-0
- Component type: Main
-
MCULE-8706538802-0
- Component type: Main
-
MCULE-8942468086-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4116382006-1.sdf |
| SMILES | MCULE-4116382006-1.smiles |
| Standard InChI | MCULE-4116382006-1.inchi |
| InChIKey | MCULE-4116382006-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893165768 | N/A | As a main component | by synthesis |
| P-893108340 | N/A | As a main component | by synthesis |
| P-875704853 | N/A | As a main component | in stock |
| P-505352239 | 98 | As a main component | in stock |
| P-505403824 | 99 | As a main component | in stock |
| P-881670988 | 95 | As a main component | in stock |
| P-869278840 | 95 | As a main component | in stock |
| P-903030398 | 99 | As a main component | 8 kg |
| P-606907423 | N/A | As a main component | in stock |
| P-596940423 | 99 | As a main component | 8 kg |
| P-580194727 | 98 | As a main component | in stock |
| P-494349754 | 95 | As a main component | unavailable |
| P-868544692 | 98 | As a main component | in stock |
| P-580700800 | 95 | As a main component | 3.85 kg |
| P-1263540685 | 95 | As a main component | by synthesis |
| P-868609976 | 98 | As a main component | in stock |
| P-889117656 | 98 | As a main component | 200 g |
| P-608220849 | 98 | As a main component | in stock |
| P-856009076 | 99 | As a main component | 100 mg |
| P-1263161148 | 95 | As a main component | in stock |
| P-608272380 | 98 | As a main component | in stock |
| P-589631442 | N/A | As a main component | in stock |
| P-579710579 | N/A | As a main component | in stock |
| P-464631048 | 95 | As a main component | by synthesis |
| P-892288557 | 95 | As a main component | 1.004 g |
| P-888632645 | 95 | As a main component | 1.004 g |
| P-33415373 | 90 | As a main component | in stock |
| P-906867949 | N/A | As a main component | by synthesis |
| P-906760853 | 99 | As a main component | by synthesis |
| P-886893574 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 87.097 |
| logP | -0.4636 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 21.1715 |
| Atoms | 13 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 7 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
