Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2893354443
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 | 30 USD | 98 | 24 working days | Get Quote |
| 5 mg | 30 USD | 98 | 24 working days | Get Quote |
| 10 mg | 30 USD | 98 | 24 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-3691018672
- Component type: Main
-
2
MCULE-1113222985
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2893354443.sdf |
| SMILES | MCULE-2893354443.smiles |
| Standard InChI | MCULE-2893354443.inchi |
| InChIKey | MCULE-2893354443.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890234489 | 98 | As is | by synthesis |
| P-895187994 | 95 | As is | by synthesis |
| P-871066987 | 95 | As is | in stock |
| P-875780091 | 98 | Main component | in stock |
| P-874601584 | 98 | Main component | by resynthesis (? - ? days) |
| P-851935257 | N/A | Main component | in stock |
| P-889479602 | 95 | Main component | by synthesis |
| P-890228433 | 98 | Main component | by synthesis |
| P-887193991 | 98 | Main component | by synthesis |
| P-855958957 | 97 | Main component | 50 mg |
| P-906827587 | 98 | Main component | by synthesis |
| P-868516197 | 95 | Main component | in stock |
| P-867678109 | 98 | Main component as a main component | in stock |
| P-874617752 | 98 | Main component as a main component | by resynthesis (? - ? days) |
| P-851929127 | N/A | Main component as a main component | in stock |
| P-889479604 | 95 | Main component as a main component | by synthesis |
| P-890225848 | 98 | Main component as a main component | by synthesis |
| P-905264670 | 98 | Main component as a main component | in stock |
| P-855957091 | 97 | Main component as a main component | 50 mg |
| P-863735198 | 95 | Main component as a main component | by synthesis |
| P-904223200 | 95 | Main component as a main component | unavailable |
| P-869137260 | 95 | Main component as a main component | unavailable |
| P-888645134 | 95 | Main component as a main component | unavailable |
| P-904239288 | 95 | Main component as a main component | unavailable |
| P-906822509 | 98 | Main component as a main component | by synthesis |
| P-611521577 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 566.482 |
| logP | 2.6846 |
| H-bond acceptors | 15 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 172.98 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 142.7832 |
| Atoms | 65 |
| Rings | 4 |
| Heavy atoms | 40 |
| Hydrogen atoms | 25 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
