Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1791609109-0
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 | 28 USD | 98 | 16 working days | Get Quote |
| 5 mg | 36 USD | 95 | 7 working days | Get Quote |
| 10 mg | 67 USD | 95 | 7 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-1791609109-0.sdf |
| SMILES | MCULE-1791609109-0.smiles |
| Standard InChI | MCULE-1791609109-0.inchi |
| InChIKey | MCULE-1791609109-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867547734 | N/A | As is | in stock |
| P-875704875 | 98 | As is | in stock |
| P-869199945 | 95 | As is | by resynthesis (? - ? days) |
| P-903029662 | 99 | As is | 500 mg |
| P-1264052563 | 99 | As is | in stock |
| P-893606475 | 90 | As is | 1.036 g |
| P-1270308003 | 99 | As is | in stock |
| P-1264204220 | N/A | As is | by synthesis |
| P-888813868 | 99 | As is | 500 mg |
| P-1273269284 | 95 | As is | by resynthesis (? - ? days) |
| P-889592901 | 95 | As is | in stock |
| P-868545803 | 99 | As is | in stock |
| P-605403108 | 99 | As is | by synthesis |
| P-889732372 | 95 | As is | by synthesis |
| P-900265099 | 95 | As is | in stock |
| P-1273110441 | 97 | As is | 100 mg |
| P-854714117 | 95 | As is | in stock |
| P-878643666 | 98 | As is | in stock |
| P-892291225 | 95 | As is | unavailable |
| P-869127020 | 95 | As is | 202 mg |
| P-888640218 | 95 | As is | 202 mg |
| P-611400780 | 90 | As is | in stock |
| P-1271671713 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 313.736 |
| logP | 3.697 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 56.27 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 84.4037 |
| Atoms | 34 |
| Rings | 4 |
| Heavy atoms | 22 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
