Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1736754757
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 | 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 |
- 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-1736754757.sdf |
| SMILES | MCULE-1736754757.smiles |
| Standard InChI | MCULE-1736754757.inchi |
| InChIKey | MCULE-1736754757.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852140887 | 90 | As is | by synthesis |
| P-889960969 | 90 | As is | by synthesis |
| P-894641958 | 95 | As is | by resynthesis (? - ? days) |
| P-851910218 | N/A | As is | by synthesis |
| P-905442873 | 95 | As is | by synthesis |
| P-591147460 | 95 | As is | by synthesis |
| P-5191357 | 90 | As is | 25 mg |
| P-577173543 | 90 | As is | by synthesis |
| P-436475336 | 95 | As is | in stock |
| P-13375509 | 92 | As is | 300 mg |
| P-596585647 | 90 | As is | 500 mg |
| P-856045315 | 90 | As is | unavailable |
| P-31193615 | 90 | As is | unavailable |
| P-588255670 | N/A | As is | by synthesis |
| P-852534730 | N/A | As is | by synthesis |
| P-854922616 | 95 | As is | by synthesis |
| P-13546532 | 92 | As is | 300 mg |
| P-885518669 | 95 | As is | by synthesis |
| P-19556054 | 90 | As is | in stock |
| P-873214409 | 90 | As is | in stock |
| P-855349940 | 90 | As is | in stock |
| P-1409053 | 90 | As is | 23.392 g |
| P-3215203 | 90 | As is | 23.392 g |
| P-1279336329 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 238.287 |
| logP | 3.2007 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 56.73 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.2014 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| 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 |
