Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3356826741
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 | 13 USD | 99 | 22 working days | Get Quote |
| 5 mg | 20 USD | 99 | 20 working days | Get Quote |
| 10 mg | 46 USD | 99 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-3356826741.sdf |
| SMILES | MCULE-3356826741.smiles |
| Standard InChI | MCULE-3356826741.inchi |
| InChIKey | MCULE-3356826741.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867599226 | 99 | As is | in stock |
| P-875757452 | 99 | As is | in stock |
| P-869221173 | 95 | As is | by resynthesis (? - ? days) |
| P-893527438 | 90 | As is | 8.758 g |
| P-1270395368 | 99 | As is | in stock |
| P-851950614 | N/A | As is | in stock |
| P-865912374 | 99 | As is | 500 mg |
| P-1273451726 | 95 | As is | by resynthesis (? - ? days) |
| P-864193311 | 95 | As is | in stock |
| P-613258281 | 99 | As is | 256 mg |
| P-580451490 | 98 | As is | in stock |
| P-861382111 | 95 | As is | by synthesis |
| P-868658520 | 95 | As is | in stock |
| P-901411036 | 99 | As is | 500 mg |
| P-870661507 | N/A | As is | in stock |
| P-1273111478 | 95 | As is | 100 mg |
| P-854721524 | 95 | As is | in stock |
| P-896628216 | 95 | As is | by synthesis |
| P-584621620 | 95 | As is | in stock |
| P-878642534 | 98 | As is | in stock |
| P-889880296 | 95 | As is | by synthesis |
| P-873285865 | N/A | As is | in stock |
| P-892289334 | 95 | As is | unavailable |
| P-869120027 | 95 | As is | 153 mg |
| P-888634875 | 95 | As is | 153 mg |
| P-855066945 | 90 | As is | in stock |
| P-1271708874 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 358.647 |
| logP | 4.242 |
| H-bond acceptors | 7 |
| H-bond donors | 0 |
| Rotatable bonds | 8 |
| PSA | 99.91 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 78.398 |
| Atoms | 38 |
| Rings | 1 |
| Heavy atoms | 21 |
| Hydrogen atoms | 17 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
