Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2800675338-0
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 | 63 USD | 98 | 16 working days | Get Quote |
| 10 mg | 101 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.
-
MCULE-6068453414-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2800675338-0.sdf |
| SMILES | MCULE-2800675338-0.smiles |
| Standard InChI | MCULE-2800675338-0.inchi |
| InChIKey | MCULE-2800675338-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-895190856 | 95 | As is | by synthesis |
| P-869156320 | 95 | As is | unavailable |
| P-888652831 | 95 | As is | unavailable |
| P-867603599 | N/A | As a main component | in stock |
| P-875761617 | N/A | As a main component | in stock |
| P-869339053 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1264052751 | 95 | As a main component | in stock |
| P-893609110 | 90 | As a main component | 4.802 g |
| P-895095670 | 97 | As a main component | 200 mg |
| P-1273474292 | 95 | As a main component | by resynthesis (? - ? days) |
| P-905462960 | 95 | As a main component | in stock |
| P-893238868 | 95 | As a main component | in stock |
| P-1273110529 | 97 | As a main component | 100 mg |
| P-854712976 | 95 | As a main component | in stock |
| P-1263156076 | 95 | As a main component | by synthesis |
| P-871077254 | 95 | As a main component | in stock |
| P-878645632 | 98 | As a main component | in stock |
| P-892300392 | 95 | As a main component | unavailable |
| P-869164402 | 95 | As a main component | 132 mg |
| P-888659584 | 95 | As a main component | 132 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 381.432 |
| logP | 6.1283 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 3.24 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 112.26 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 1 |
| 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 |
