Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3839361365-0
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 | 31 USD | 95 | 7 working days | Get Quote |
| 5 mg | 52 USD | 98 | 16 working days | Get Quote |
| 10 mg | 83 USD | 98 | 16 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-3839361365-0.sdf |
| SMILES | MCULE-3839361365-0.smiles |
| Standard InChI | MCULE-3839361365-0.inchi |
| InChIKey | MCULE-3839361365-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867678063 | N/A | As is | in stock |
| P-875855464 | 98 | As is | in stock |
| P-869272182 | 95 | As is | by resynthesis (? - ? days) |
| P-1264053031 | 99 | As is | in stock |
| P-893512277 | 90 | As is | 6.444 g |
| P-1270288299 | 98 | As is | in stock |
| P-888934682 | N/A | As is | in stock |
| P-875891738 | 98 | As is | 250 mg |
| P-1273259867 | 95 | As is | by resynthesis (? - ? days) |
| P-905466956 | 95 | As is | in stock |
| P-868544987 | 100 | As is | in stock |
| P-890246742 | 98 | As is | 1.006 g |
| P-901487590 | 95 | As is | by synthesis |
| P-605202773 | 95 | As is | 1.34 g |
| P-887187536 | 95 | As is | by synthesis |
| P-1273110245 | 95 | As is | 100 mg |
| P-1275598676 | 95 | As is | by synthesis |
| P-863724363 | 95 | As is | in stock |
| P-871068407 | 95 | As is | in stock |
| P-878644285 | 98 | As is | in stock |
| P-892293188 | 95 | As is | unavailable |
| P-869147808 | 95 | As is | 44 mg |
| P-888649464 | 95 | As is | 144 mg |
| P-855021106 | 90 | As is | in stock |
| P-855042021 | 90 | As is | in stock |
| P-1271666916 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 560.665 |
| logP | 5.5887 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 111.14 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 157.3472 |
| Atoms | 72 |
| Rings | 5 |
| Heavy atoms | 40 |
| Hydrogen atoms | 32 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |
