Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3958715077-0
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 | 23 USD | 99 | 22 working days | Get Quote |
| 5 mg | 35 USD | 95 | 7 working days | Get Quote |
| 10 mg | 53 USD | 95 | 7 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.
-
1
MCULE-7839115105-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3958715077-0.sdf |
| SMILES | MCULE-3958715077-0.smiles |
| Standard InChI | MCULE-3958715077-0.inchi |
| InChIKey | MCULE-3958715077-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-881619409 | N/A | As is | by synthesis |
| P-590789857 | 99 | As is | by synthesis |
| P-901527237 | 95 | As is | by synthesis |
| P-579480040 | 95 | As is | in stock |
| P-1273111391 | 95 | As is | 100 mg |
| P-895193470 | 95 | As is | by synthesis |
| P-584623953 | 95 | As is | in stock |
| P-869128442 | 95 | As is | unavailable |
| P-888641161 | 95 | As is | unavailable |
| P-611461145 | 90 | As is | in stock |
| P-867614200 | 99 | Main component | in stock |
| P-875774897 | 99 | Main component | in stock |
| P-869334285 | 95 | Main component | by resynthesis (? - ? days) |
| P-903116489 | 99 | Main component | 500 mg |
| P-1264046950 | 99 | Main component | in stock |
| P-893607809 | 90 | Main component | 4.586 g |
| P-1270374329 | 99 | Main component | in stock |
| P-606918986 | N/A | Main component | in stock |
| P-865915249 | 99 | Main component | 100 mg |
| P-1273268577 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273297473 | 95 | Main component | by resynthesis (? - ? days) |
| P-864193612 | 95 | Main component | in stock |
| P-868544273 | 98 | Main component | in stock |
| P-580725987 | 99 | Main component | 1.016 g |
| P-901513538 | 95 | Main component | by synthesis |
| P-861381574 | 95 | Main component | by synthesis |
| P-855923703 | 97 | Main component | 100 mg |
| P-854715699 | 95 | Main component | in stock |
| P-584623952 | 95 | Main component | in stock |
| P-619672826 | 98 | Main component | in stock |
| P-491319263 | 95 | Main component | by synthesis |
| P-617401696 | 98 | Main component | in stock |
| P-892295666 | 95 | Main component | unavailable |
| P-594274046 | 95 | Main component | 99 mg |
| P-888656657 | 95 | Main component | 99 mg |
| P-906796180 | 99 | Main component | by synthesis |
| P-1271680097 | 99 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 396.268 |
| logP | 4.3756 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 88.08 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 102.1424 |
| Atoms | 45 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 19 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
