Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5664037037
Compound
Show structures
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 | 22 working days | Get Quote |
| 5 mg | 36 USD | 95 | 22 working days | Get Quote |
| 10 mg | 36 USD | 95 | 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-5664037037.sdf |
| SMILES | MCULE-5664037037.smiles |
| Standard InChI | MCULE-5664037037.inchi |
| InChIKey | MCULE-5664037037.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867560275 | 95 | As is | in stock |
| P-875720434 | N/A | As is | in stock |
| P-869288593 | 95 | As is | in stock |
| P-851448673 | N/A | As is | by synthesis |
| P-596492691 | 90 | As is | 56 mg |
| P-596411353 | 90 | As is | 56 mg |
| P-901361858 | 95 | As is | by synthesis |
| P-590770155 | 95 | As is | by synthesis |
| P-492269764 | 95 | As is | in stock |
| P-6151894 | 90 | As is | 100 mg |
| P-454683555 | 90 | As is | in stock |
| P-22005703 | 90 | As is | 19 mg |
| P-436442709 | 90 | As is | 5.5 g |
| P-113151 | 90 | As is | 439 mg |
| P-436472531 | 95 | As is | in stock |
| P-34861271 | 90 | As is | in stock |
| P-861525990 | 95 | As is | by synthesis |
| P-34674335 | 90 | As is | by synthesis |
| P-855977083 | 95 | As is | 1000 mg |
| P-31210363 | 90 | As is | 200 mg |
| P-852532527 | N/A | As is | in stock |
| P-854909649 | 95 | As is | by synthesis |
| P-19648459 | 90 | As is | in stock |
| P-502340614 | 90 | As is | in stock |
| P-22449476 | 90 | As is | 110 mg |
| P-611468127 | 90 | As is | in stock |
| P-1866025 | 90 | As is | 1.11 g |
| P-893667532 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.305 |
| logP | 0.8818 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 125.65 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 53.5514 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 |
