Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8416902521
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 | 20 USD | 98 | 20 working days | Get Quote |
| 5 mg | 20 USD | 98 | 20 working days | Get Quote |
| 10 mg | 20 USD | 98 | 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-8416902521.sdf |
| SMILES | MCULE-8416902521.smiles |
| Standard InChI | MCULE-8416902521.inchi |
| InChIKey | MCULE-8416902521.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867574464 | 98 | As is | in stock |
| P-875734854 | 98 | As is | in stock |
| P-890256434 | 97 | As is | by synthesis |
| P-590365318 | 95 | As is | by resynthesis (? - ? days) |
| P-903064786 | 98 | As is | 4 g |
| P-893532235 | 90 | As is | 107.49 g |
| P-1270351200 | 98 | As is | in stock |
| P-851924768 | N/A | As is | in stock |
| P-489205595 | 97 | As is | in stock |
| P-596975739 | 98 | As is | 4 g |
| P-589664963 | 95 | As is | by resynthesis (? - ? days) |
| P-864144449 | 95 | As is | in stock |
| P-675649817 | 98 | As is | 3.82 g |
| P-901455535 | 95 | As is | by synthesis |
| P-868565634 | 95 | As is | in stock |
| P-580324062 | 95 | As is | by resynthesis (? - ? days) |
| P-905353729 | 98 | As is | 3 g |
| P-862138531 | 98 | As is | 41.49 g |
| P-890216984 | 90 | As is | in stock |
| P-590339413 | 90 | As is | 1000 mg |
| P-502864758 | 90 | As is | in stock |
| P-1275308368 | 90 | As is | 11 mg |
| P-563522238 | 95 | As is | 250 mg |
| P-580464500 | N/A | As is | by synthesis |
| P-1272602015 | N/A | As is | 5 g |
| P-852598708 | N/A | As is | by synthesis |
| P-872526637 | 95 | As is | in stock |
| P-12439954 | 90 | As is | 50 mg |
| P-888893874 | N/A | As is | in stock |
| P-859994006 | 95 | As is | by synthesis |
| P-19254387 | 90 | As is | in stock |
| P-1272896990 | 94 | As is | by resynthesis (? - ? days) |
| P-611365623 | 90 | As is | in stock |
| P-1271726361 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 190.119 |
| logP | 2.0021 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.9298 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 5 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
