Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9544121980
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 | 45 USD | N/A | 9 working days | Get Quote |
| 5 mg | 45 USD | N/A | 9 working days | Get Quote |
| 10 mg | 43 USD | 95 | 8 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-9544121980.sdf |
| SMILES | MCULE-9544121980.smiles |
| Standard InChI | MCULE-9544121980.inchi |
| InChIKey | MCULE-9544121980.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867559894 | 97 | As is | in stock |
| P-875719677 | 97 | As is | in stock |
| P-903048613 | 97 | As is | 160 g |
| P-1270323886 | 97 | As is | in stock |
| P-606949564 | N/A | As is | in stock |
| P-888814689 | 97 | As is | 160 g |
| P-494446889 | 95 | As is | by resynthesis (? - ? days) |
| P-889790135 | 95 | As is | in stock |
| P-481173401 | 95 | As is | 22 g |
| P-591129646 | 97 | As is | by synthesis |
| P-868598251 | 97 | As is | in stock |
| P-862082768 | 97 | As is | 162.37 g |
| P-454302926 | 90 | As is | 222 mg |
| P-1272583877 | 97 | As is | 5 g |
| P-852453299 | 97 | As is | by synthesis |
| P-428003013 | 90 | As is | in stock |
| P-1272504084 | 95 | As is | in stock |
| P-491085535 | 95 | As is | by synthesis |
| P-502363380 | 90 | As is | in stock |
| P-906769964 | 97 | As is | by synthesis |
| P-611370478 | 90 | As is | in stock |
| P-1271663208 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.163 |
| logP | 1.9214 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 48.91 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.0047 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
