Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1371177320
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 38 USD | 95 | 27 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-1371177320.sdf |
| SMILES | MCULE-1371177320.smiles |
| Standard InChI | MCULE-1371177320.inchi |
| InChIKey | MCULE-1371177320.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867550919 | 95 | As is | in stock |
| P-875708733 | N/A | As is | in stock |
| P-590365522 | 95 | As is | in stock |
| P-903034749 | 95 | As is | 2.5 g |
| P-851621282 | N/A | As is | by synthesis |
| P-901347129 | 95 | As is | by synthesis |
| P-454640717 | 90 | As is | in stock |
| P-454754935 | 90 | As is | in stock |
| P-607694636 | 90 | As is | 81.995 g |
| P-436445763 | 95 | As is | 25 g |
| P-20014024 | 90 | As is | in stock |
| P-861527492 | 95 | As is | by synthesis |
| P-34804900 | 90 | As is | in stock |
| P-580775143 | 90 | As is | by resynthesis (? - ? days) |
| P-580764628 | 90 | As is | in stock |
| P-889111025 | 95 | As is | 1000 mg |
| P-588711077 | 95 | As is | unavailable |
| P-580470269 | 95 | As is | by synthesis |
| P-852395957 | N/A | As is | in stock |
| P-854839599 | 95 | As is | by synthesis |
| P-856063720 | 95 | As is | in stock |
| P-18984397 | 90 | As is | in stock |
| P-33464984 | 90 | As is | in stock |
| P-502341645 | 90 | As is | in stock |
| P-888492390 | 94 | As is | by resynthesis (? - ? days) |
| P-855226701 | 90 | As is | in stock |
| P-1141657 | 90 | As is | 2.021 g |
| P-3230642 | 90 | As is | 2.021 g |
| P-893754600 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 262.329 |
| logP | 4.113 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 80.57 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 72.9261 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| 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 |
