Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1157941118
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-1157941118.sdf |
| SMILES | MCULE-1157941118.smiles |
| Standard InChI | MCULE-1157941118.inchi |
| InChIKey | MCULE-1157941118.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867555209 | 95 | As is | in stock |
| P-875714198 | N/A | As is | in stock |
| P-590375830 | 98 | As is | in stock |
| P-903041551 | 98 | As is | 500 g |
| P-893586904 | 90 | As is | 2.96066 kg |
| P-596943117 | 98 | As is | 900 g |
| P-589659763 | 95 | As is | by resynthesis (? - ? days) |
| P-864194094 | 95 | As is | in stock |
| P-584630419 | 98 | As is | 136 g |
| P-870585436 | 98 | As is | in stock |
| P-580432107 | 95 | As is | by resynthesis (? - ? days) |
| P-862056237 | 98 | As is | 19 g |
| P-905349959 | 98 | As is | 19 g |
| P-596564021 | 97 | As is | 5 g |
| P-31129395 | 90 | As is | 10 g |
| P-856042423 | 90 | As is | 10 g |
| P-872794757 | 95 | As is | in stock |
| P-885536503 | 95 | As is | by synthesis |
| P-502330554 | 90 | As is | in stock |
| P-906763784 | 99 | As is | by synthesis |
| P-611449914 | 90 | As is | in stock |
| P-615449808 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.243 |
| logP | 2.9612 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 29.46 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.185 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
