Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5622022697-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 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-5622022697-0.sdf |
| SMILES | MCULE-5622022697-0.smiles |
| Standard InChI | MCULE-5622022697-0.inchi |
| InChIKey | MCULE-5622022697-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867671405 | N/A | As is | in stock |
| P-875845503 | N/A | As is | in stock |
| P-903216218 | 95 | As is | 1000 mg |
| P-851544495 | N/A | As is | by synthesis |
| P-590900411 | 95 | As is | by synthesis |
| P-504714094 | 85 | As is | 5 mg |
| P-454690198 | 90 | As is | in stock |
| P-607694739 | 90 | As is | 27 mg |
| P-34792540 | 90 | As is | by synthesis |
| P-580774981 | 90 | As is | by resynthesis (? - ? days) |
| P-580764470 | 90 | As is | in stock |
| P-901378134 | 95 | As is | 1000 mg |
| P-502473900 | 95 | As is | by synthesis |
| P-588711189 | 95 | As is | unavailable |
| P-580460518 | 95 | As is | by synthesis |
| P-852597662 | N/A | As is | in stock |
| P-854859938 | 95 | As is | by synthesis |
| P-596796531 | 95 | As is | by synthesis |
| P-23822825 | 90 | As is | in stock |
| P-454168603 | 90 | As is | 27 mg |
| P-33464926 | 90 | As is | in stock |
| P-502341576 | 90 | As is | in stock |
| P-25081761 | 90 | As is | 1.056 g |
| P-596526772 | 90 | As is | 1.056 g |
| P-893728506 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 258.268 |
| logP | 2.9724 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 55.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 70.8723 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| 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 |
