Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5485417530
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 25 USD | 98 | 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-5485417530.sdf |
| SMILES | MCULE-5485417530.smiles |
| Standard InChI | MCULE-5485417530.inchi |
| InChIKey | MCULE-5485417530.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867577510 | 98 | As is | in stock |
| P-875737569 | 98 | As is | in stock |
| P-1275146243 | 95 | As is | in stock |
| P-1275192059 | 98 | As is | in stock |
| P-872727809 | 98 | As is | in stock |
| P-903067671 | 98 | As is | 25 g |
| P-1264053699 | 99 | As is | in stock |
| P-893522847 | 90 | As is | 1.4881 kg |
| P-606862549 | N/A | As is | in stock |
| P-489241725 | 97 | As is | in stock |
| P-596951633 | 98 | As is | 125 g |
| P-1273453372 | 95 | As is | by resynthesis (? - ? days) |
| P-1273460266 | 95 | As is | by resynthesis (? - ? days) |
| P-864173589 | 98 | As is | in stock |
| P-860056079 | 98 | As is | by synthesis |
| P-868545823 | 99 | As is | in stock |
| P-871219368 | N/A | As is | by resynthesis (? - ? days) |
| P-893229624 | 95 | As is | in stock |
| P-871214913 | 95 | As is | by synthesis |
| P-861286834 | 98 | As is | in stock |
| P-580451262 | 98 | As is | in stock |
| P-579481195 | 95 | As is | in stock |
| P-580441010 | 95 | As is | by resynthesis (? - ? days) |
| P-905361383 | 97 | As is | 300 mg |
| P-870662595 | 98 | As is | in stock |
| P-505515215 | 95 | As is | in stock |
| P-891540257 | 95 | As is | by synthesis |
| P-1273109766 | 97 | As is | 100 mg |
| P-1275254866 | 90 | As is | 83 mg |
| P-580481976 | 95 | As is | by synthesis |
| P-852467691 | N/A | As is | by synthesis |
| P-1272588974 | N/A | As is | in stock |
| P-1275893286 | 95 | As is | by synthesis |
| P-854719071 | 95 | As is | in stock |
| P-474023106 | 95 | As is | in stock |
| P-608276224 | 98 | As is | in stock |
| P-888884208 | N/A | As is | in stock |
| P-1263956812 | 90 | As is | in stock |
| P-885560164 | 95 | As is | by synthesis |
| P-617403966 | 98 | As is | in stock |
| P-869108106 | 95 | As is | 376 mg |
| P-892286777 | 95 | As is | 376 mg |
| P-888627150 | 95 | As is | 376 mg |
| P-596714340 | 90 | As is | 30 mg |
| P-611395998 | 90 | As is | in stock |
| P-1279088999 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 274.176 |
| logP | 2.0477 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 22.0 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 66.485 |
| Atoms | 25 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 1 |
| 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 |
