Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2939278804
Compound
Show structures
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 | 13 USD | 98 | 22 working days | Get Quote |
| 5 mg | 21 USD | 98 | 22 working days | Get Quote |
| 10 mg | 34 USD | 98 | 22 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-2939278804.sdf |
| SMILES | MCULE-2939278804.smiles |
| Standard InChI | MCULE-2939278804.inchi |
| InChIKey | MCULE-2939278804.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867608604 | 98 | As is | in stock |
| P-875767631 | 98 | As is | in stock |
| P-613846212 | 95 | As is | by resynthesis (? - ? days) |
| P-1264052416 | 95 | As is | in stock |
| P-1270312268 | 99 | As is | in stock |
| P-851943250 | N/A | As is | in stock |
| P-865913998 | 99 | As is | 100 mg |
| P-1273453138 | 95 | As is | by resynthesis (? - ? days) |
| P-864206948 | 95 | As is | in stock |
| P-893266974 | 95 | As is | by synthesis |
| P-580450906 | 98 | As is | in stock |
| P-901411052 | 98 | As is | 500 mg |
| P-870659517 | N/A | As is | in stock |
| P-1273110467 | 97 | As is | 100 mg |
| P-854717354 | 95 | As is | in stock |
| P-584621009 | 95 | As is | in stock |
| P-878643111 | 98 | As is | in stock |
| P-611526023 | 90 | As is | in stock |
| P-1271705503 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 360.450 |
| logP | 3.5873 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 100.99 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 100.6792 |
| Atoms | 54 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 28 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
