Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3113555147
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 | 33 USD | N/A | 9 working days | Get Quote |
| 5 mg | 54 USD | 95 | 7 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-3113555147.sdf |
| SMILES | MCULE-3113555147.smiles |
| Standard InChI | MCULE-3113555147.inchi |
| InChIKey | MCULE-3113555147.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867598998 | 99 | As is | in stock |
| P-875756968 | N/A | As is | in stock |
| P-869314566 | 95 | As is | in stock |
| P-903092504 | 99 | As is | 1.25 g |
| P-893607853 | 90 | As is | 15.753 g |
| P-606868894 | N/A | As is | in stock |
| P-865912416 | 99 | As is | 500 mg |
| P-864191535 | 95 | As is | in stock |
| P-860056059 | 98 | As is | by synthesis |
| P-868545410 | 99 | As is | in stock |
| P-590599465 | 99 | As is | 349 mg |
| P-861379219 | 95 | As is | by synthesis |
| P-608496197 | 95 | As is | in stock |
| P-13905060 | 95 | As is | 106 mg |
| P-855927217 | 97 | As is | 100 mg |
| P-854718070 | 95 | As is | in stock |
| P-584618143 | 95 | As is | in stock |
| P-619673269 | 98 | As is | in stock |
| P-889864049 | 95 | As is | by synthesis |
| P-888676739 | 90 | As is | in stock |
| P-890843454 | 95 | As is | in stock |
| P-617403854 | N/A | As is | in stock |
| P-594274429 | 95 | As is | by synthesis |
| P-892295949 | 95 | As is | unavailable |
| P-888656856 | 95 | As is | 204 mg |
| P-594195343 | 90 | As is | 34 mg |
| P-868509726 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.205 |
| logP | 1.57 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.027 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
