Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8579305485
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 | 71 USD | 95 | 15 working days | Get Quote |
| 5 mg | 71 USD | 95 | 15 working days | Get Quote |
| 10 mg | 71 USD | 95 | 15 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-8579305485.sdf |
| SMILES | MCULE-8579305485.smiles |
| Standard InChI | MCULE-8579305485.inchi |
| InChIKey | MCULE-8579305485.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1265787224 | 95 | As is | in stock |
| P-869225473 | 95 | As is | by resynthesis (? - ? days) |
| P-1274444904 | 90 | As is | 7 g |
| P-1270340357 | 95 | As is | in stock |
| P-901662623 | N/A | As is | in stock |
| P-864201765 | 95 | As is | in stock |
| P-901922740 | 95 | As is | 3.193 g |
| P-584500452 | 90 | As is | 1 mg |
| P-888208614 | 95 | As is | in stock |
| P-861392033 | 95 | As is | by synthesis |
| P-580377550 | N/A | As is | by resynthesis (? - ? days) |
| P-901405313 | 95 | As is | 5 g |
| P-855914018 | 97 | As is | 100 mg |
| P-1279040394 | N/A | As is | by synthesis |
| P-1279643318 | N/A | As is | in stock |
| P-1272508210 | 95 | As is | in stock |
| P-500408849 | 95 | As is | by synthesis |
| P-906759555 | 98 | As is | by synthesis |
| P-611542134 | 90 | As is | in stock |
| P-1271672909 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 243.257 |
| logP | 3.21 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 58.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 69.437 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| 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 |
