Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1170839955
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 | 83 USD | 90 | 17 working days | Get Quote |
| 5 mg | 99 USD | 90 | 17 working days | Get Quote |
| 10 mg | 110 USD | 95 | 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-3306469888
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1170839955.sdf |
| SMILES | MCULE-1170839955.smiles |
| Standard InChI | MCULE-1170839955.inchi |
| InChIKey | MCULE-1170839955.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890018976 | 95 | As is | by synthesis |
| P-874629070 | 95 | As is | by resynthesis (? - ? days) |
| P-903293150 | 95 | As is | 5 g |
| P-899920828 | N/A | As is | by synthesis |
| P-869396263 | 95 | As is | by synthesis |
| P-901870686 | 95 | As is | by synthesis |
| P-901524373 | 95 | As is | by synthesis |
| P-596571570 | 95 | As is | 100 mg |
| P-895706382 | 95 | As is | by synthesis |
| P-893649007 | 95 | As is | by synthesis |
| P-892857344 | 95 | Main component | in stock |
| P-875759734 | 95 | Main component | in stock |
| P-904590536 | 95 | Main component | by resynthesis (? - ? days) |
| P-893456077 | 90 | Main component | 1.661 g |
| P-851551210 | N/A | Main component | by synthesis |
| P-889828900 | 95 | Main component | by synthesis |
| P-590941068 | 95 | Main component | by synthesis |
| P-887072344 | 95 | Main component | in stock |
| P-579660296 | 95 | Main component | by resynthesis (? - ? days) |
| P-1268561790 | 95 | Main component | 1.3 g |
| P-601071753 | 90 | Main component | 354 mg |
| P-25840626 | 95 | Main component | 354 mg |
| P-1272595923 | 95 | Main component | 2 g |
| P-852505720 | 95 | Main component | by synthesis |
| P-895290004 | 95 | Main component | by synthesis |
| P-855248053 | 90 | Main component | in stock |
| P-1271523925 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 250.522 |
| logP | 3.4295 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 61.9 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 56.7108 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
