Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5931963296-0
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 | 20 USD | 98 | 22 working days | Get Quote |
| 5 mg | 39 USD | 98 | 22 working days | Get Quote |
| 10 mg | 39 USD | 98 | 22 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-6812742236-0
- Component type: Main
-
MCULE-7714699543-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5931963296-0.sdf |
| SMILES | MCULE-5931963296-0.smiles |
| Standard InChI | MCULE-5931963296-0.inchi |
| InChIKey | MCULE-5931963296-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867620745 | 98 | As is | in stock |
| P-875783016 | 98 | As is | in stock |
| P-892793302 | 95 | As is | by resynthesis (? - ? days) |
| P-1264051962 | 99 | As is | in stock |
| P-1270334415 | 99 | As is | in stock |
| P-606952717 | N/A | As is | in stock |
| P-888817845 | 98 | As is | 200 mg |
| P-1273262168 | 95 | As is | by resynthesis (? - ? days) |
| P-889592954 | 95 | As is | in stock |
| P-591171925 | 99 | As is | by synthesis |
| P-579482237 | 95 | As is | in stock |
| P-873244669 | 97 | As is | 5 mg |
| P-854720974 | 95 | As is | in stock |
| P-904640832 | 95 | As is | by synthesis |
| P-608279276 | 98 | As is | in stock |
| P-491319249 | 95 | As is | by synthesis |
| P-867625582 | 98 | As a main component | in stock |
| P-875788506 | 98 | As a main component | in stock |
| P-869364044 | 95 | As a main component | by resynthesis (? - ? days) |
| P-899920024 | N/A | As a main component | by synthesis |
| P-869420464 | 95 | As a main component | by synthesis |
| P-868544090 | 99 | As a main component | in stock |
| P-590826162 | 98 | As a main component | by synthesis |
| P-893270136 | 95 | As a main component | by synthesis |
| P-851250607 | 95 | As a main component | by synthesis |
| P-887199695 | 95 | As a main component | by synthesis |
| P-852523595 | 95 | As a main component | by synthesis |
| P-1275093264 | 95 | As a main component | in stock |
| P-895218627 | 95 | As a main component | by synthesis |
| P-871071365 | 95 | As a main component | in stock |
| P-869128144 | 95 | As a main component | unavailable |
| P-888640966 | 95 | As a main component | unavailable |
| P-1271462308 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 351.416 |
| logP | 4.3794 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 48.13 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 106.1689 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| 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 |
