Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5725483513
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 | 32 USD | 97 | 20 working days | Get Quote |
| 5 mg | 32 USD | 97 | 20 working days | Get Quote |
| 10 mg | 32 USD | 97 | 20 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-5725483513.sdf |
| SMILES | MCULE-5725483513.smiles |
| Standard InChI | MCULE-5725483513.inchi |
| InChIKey | MCULE-5725483513.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892865938 | 97 | As is | in stock |
| P-890161044 | 97 | As is | in stock |
| P-894623934 | 95 | As is | by resynthesis (? - ? days) |
| P-903169008 | 97 | As is | 1.25 g |
| P-893454641 | 90 | As is | 35.7 g |
| P-1270313914 | 97 | As is | in stock |
| P-1263861769 | N/A | As is | in stock |
| P-895101956 | 97 | As is | 15 g |
| P-1273453028 | 95 | As is | by resynthesis (? - ? days) |
| P-596335360 | 90 | As is | 15 mg |
| P-596488656 | 90 | As is | 15 mg |
| P-1272606665 | 95 | As is | in stock |
| P-1264200135 | 97 | As is | 50 mg |
| P-901461400 | 95 | As is | by synthesis |
| P-10654227 | 90 | As is | 28 mg |
| P-34878380 | 90 | As is | in stock |
| P-861345866 | 95 | As is | by synthesis |
| P-428568885 | 90 | As is | in stock |
| P-889387610 | 97 | As is | 15 g |
| P-502683003 | 90 | As is | in stock |
| P-854932963 | 95 | As is | by synthesis |
| P-13113869 | 90 | As is | 10 mg |
| P-892299001 | 95 | As is | unavailable |
| P-892273885 | 95 | As is | 967 mg |
| P-892350425 | 95 | As is | 967 mg |
| P-33162820 | 90 | As is | 32 mg |
| P-1272902947 | 94 | As is | by resynthesis (? - ? days) |
| P-611433626 | 90 | As is | in stock |
| P-1271624586 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.221 |
| logP | 2.1186 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 48.67 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.434 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| 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 |
