Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3912626135
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 | 36 USD | 92 | 15 working days | Get Quote |
| 5 mg | 67 USD | 92 | 15 working days | Get Quote |
| 10 mg | 86 USD | 90 | 24 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-3912626135.sdf |
| SMILES | MCULE-3912626135.smiles |
| Standard InChI | MCULE-3912626135.inchi |
| InChIKey | MCULE-3912626135.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867625611 | N/A | As is | in stock |
| P-875788539 | N/A | As is | in stock |
| P-869264508 | 95 | As is | by resynthesis (? - ? days) |
| P-903139127 | N/A | As is | 200 mg |
| P-1264052600 | 98 | As is | in stock |
| P-893606603 | 90 | As is | 12.222 g |
| P-891651616 | N/A | As is | by synthesis |
| P-489242745 | 97 | As is | in stock |
| P-895099477 | N/A | As is | 200 mg |
| P-1273255685 | 95 | As is | by resynthesis (? - ? days) |
| P-889496347 | 95 | As is | by synthesis |
| P-590869310 | 99 | As is | by synthesis |
| P-893231013 | 95 | As is | in stock |
| P-851250615 | 95 | As is | by synthesis |
| P-900266647 | 95 | As is | in stock |
| P-890212607 | 90 | As is | in stock |
| P-579523820 | 90 | As is | 1000 mg |
| P-492239209 | 95 | As is | in stock |
| P-503002586 | 90 | As is | in stock |
| P-12363864 | 92 | As is | 274 mg |
| P-1273108905 | 95 | As is | 100 mg |
| P-852523604 | 95 | As is | by synthesis |
| P-863726849 | 95 | As is | in stock |
| P-888174009 | 98 | As is | by synthesis |
| P-424414151 | 90 | As is | 119 mg |
| P-491275234 | 95 | As is | by synthesis |
| P-18931290 | 90 | As is | in stock |
| P-12507831 | 90 | As is | 46 mg |
| P-892291565 | 95 | As is | unavailable |
| P-869127918 | 95 | As is | 100 mg |
| P-888640821 | 95 | As is | 100 mg |
| P-1272956530 | 94 | As is | by resynthesis (? - ? days) |
| P-452252 | 90 | As is | 65 mg |
| P-1271623448 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 450.526 |
| logP | 5.1795 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 97.63 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 130.6357 |
| Atoms | 63 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 30 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
