Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2405081982
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 | 44 USD | 97 | 14 working days | Get Quote |
| 5 mg | 44 USD | 97 | 14 working days | Get Quote |
| 10 mg | 44 USD | 97 | 14 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-2405081982.sdf |
| SMILES | MCULE-2405081982.smiles |
| Standard InChI | MCULE-2405081982.inchi |
| InChIKey | MCULE-2405081982.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867622542 | 98 | As is | in stock |
| P-890154625 | 97 | As is | in stock |
| P-869204127 | 95 | As is | by resynthesis (? - ? days) |
| P-903132716 | 97 | As is | 3 g |
| P-610971252 | 90 | As is | 317.203 g |
| P-1270291996 | 97 | As is | in stock |
| P-606872174 | N/A | As is | in stock |
| P-865917634 | 98 | As is | 1000 mg |
| P-895948414 | 95 | As is | by resynthesis (? - ? days) |
| P-864127304 | 95 | As is | in stock |
| P-851146598 | 97 | As is | 3.895 g |
| P-901517765 | 95 | As is | by synthesis |
| P-851257841 | 95 | As is | by synthesis |
| P-861279830 | 97 | As is | in stock |
| P-868624125 | 97 | As is | in stock |
| P-889314041 | 98 | As is | 4.59 g |
| P-855938026 | 97 | As is | 250 mg |
| P-1267088664 | 95 | As is | 5.39 g |
| P-601041554 | 90 | As is | 144 mg |
| P-601229214 | 95 | As is | 144 mg |
| P-852504486 | N/A | As is | by synthesis |
| P-1272595684 | N/A | As is | in stock |
| P-855400750 | 95 | As is | in stock |
| P-888862225 | N/A | As is | in stock |
| P-855248401 | 90 | As is | in stock |
| P-1271685937 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.159 |
| logP | 2.3839 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 65.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 36.3463 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 4 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
