Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5012435878
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 | 6 USD | 95 | 14 working days | Get Quote |
| 5 mg | 6 USD | 95 | 14 working days | Get Quote |
| 10 mg | 6 USD | 95 | 14 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-5012435878.sdf |
| SMILES | MCULE-5012435878.smiles |
| Standard InChI | MCULE-5012435878.inchi |
| InChIKey | MCULE-5012435878.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867632196 | 95 | As is | in stock |
| P-875796629 | 95 | As is | in stock |
| P-874620608 | 95 | As is | by resynthesis (? - ? days) |
| P-903149720 | 95 | As is | 100 g |
| P-1270322371 | 95 | As is | in stock |
| P-606888613 | N/A | As is | in stock |
| P-619189059 | 98 | As is | 20 g |
| P-895924762 | 95 | As is | by resynthesis (? - ? days) |
| P-864135409 | 95 | As is | in stock |
| P-605416043 | 95 | As is | 23.575 g |
| P-901483007 | 95 | As is | by synthesis |
| P-4201929 | 90 | As is | 25 mg |
| P-454683233 | 90 | As is | in stock |
| P-449700174 | 90 | As is | 404 mg |
| P-436442529 | 90 | As is | 5.09 g |
| P-303421 | 90 | As is | 807 mg |
| P-436452425 | 95 | As is | in stock |
| P-578527507 | 90 | As is | in stock |
| P-34858237 | 90 | As is | in stock |
| P-868626648 | 95 | As is | in stock |
| P-34748058 | 90 | As is | by synthesis |
| P-889360086 | 98 | As is | 29.4 g |
| P-502486451 | 95 | As is | by synthesis |
| P-503147772 | 90 | As is | by synthesis |
| P-492220978 | 95 | As is | in stock |
| P-502682932 | 90 | As is | in stock |
| P-563653588 | 95 | As is | 5 g |
| P-524184801 | 95 | As is | 100 g |
| P-524182119 | 97 | As is | 250 mg |
| P-856007316 | 95 | As is | 100 mg |
| P-608097151 | 95 | As is | in stock |
| P-31262837 | 90 | As is | 2 g |
| P-1272571462 | N/A | As is | 200 g |
| P-852406493 | N/A | As is | by synthesis |
| P-855396705 | 95 | As is | in stock |
| P-868120376 | 95 | As is | in stock |
| P-18828607 | 90 | As is | in stock |
| P-502327386 | 90 | As is | in stock |
| P-22466585 | 90 | As is | 1000 mg |
| P-1272921697 | 94 | As is | by resynthesis (? - ? days) |
| P-611435003 | 90 | As is | in stock |
| P-893994952 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 319.377 |
| logP | 3.4409 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 91.85 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 83.1765 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
