Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3672914078-0
Structure
Show compound
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-3672914078-0.sdf |
| SMILES | MCULE-3672914078-0.smiles |
| Standard InChI | MCULE-3672914078-0.inchi |
| InChIKey | MCULE-3672914078-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867405317 | N/A | As is | by synthesis |
| P-894648030 | 95 | As is | in stock |
| P-851652011 | N/A | As is | by synthesis |
| P-590880652 | 95 | As is | by synthesis |
| P-6151471 | 90 | As is | 5 mg |
| P-577180255 | 90 | As is | by synthesis |
| P-454761192 | 90 | As is | in stock |
| P-619839439 | 90 | As is | 56 mg |
| P-34573018 | 90 | As is | in stock |
| P-861298446 | 90 | As is | in stock |
| P-580780261 | 90 | As is | by resynthesis (? - ? days) |
| P-580769355 | 90 | As is | in stock |
| P-502504765 | 95 | As is | by synthesis |
| P-502884889 | 90 | As is | in stock |
| P-492231395 | 95 | As is | in stock |
| P-488552376 | 90 | As is | in stock |
| P-12894789 | 92 | As is | 207 mg |
| P-596594818 | 90 | As is | 1000 mg |
| P-14440900 | 90 | As is | 8 mg |
| P-580496532 | N/A | As is | by synthesis |
| P-854911060 | 95 | As is | by synthesis |
| P-454372899 | 92 | As is | in stock |
| P-23797889 | 92 | As is | 300 mg |
| P-596796917 | 95 | As is | by synthesis |
| P-18941847 | 90 | As is | in stock |
| P-33483517 | 90 | As is | in stock |
| P-502345638 | 90 | As is | in stock |
| P-22633457 | 90 | As is | 4 mg |
| P-611612098 | 90 | As is | in stock |
| P-495118 | 90 | As is | 1.256 g |
| P-3243824 | 90 | As is | 1.256 g |
| P-464683612 | 90 | As is | 1.256 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.247 |
| logP | 2.7513 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 51.47 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.7802 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| 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 |
