Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3770920064
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 | 37 USD | 95 | 7 working days | Get Quote |
| 5 mg | 78 USD | 98 | 16 working days | Get Quote |
| 10 mg | 117 USD | 98 | 11 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.
-
MCULE-5728612920
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3770920064.sdf |
| SMILES | MCULE-3770920064.smiles |
| Standard InChI | MCULE-3770920064.inchi |
| InChIKey | MCULE-3770920064.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634119 | N/A | As is | in stock |
| P-875798842 | 98 | As is | in stock |
| P-595221001 | 95 | As is | by resynthesis (? - ? days) |
| P-1264053473 | 99 | As is | in stock |
| P-893521118 | 90 | As is | 3.634 g |
| P-1273292810 | 95 | As is | by resynthesis (? - ? days) |
| P-896023899 | 95 | As is | in stock |
| P-900154865 | 95 | As is | in stock |
| P-452661073 | 98 | As is | in stock |
| P-887202118 | 95 | As is | by synthesis |
| P-675218346 | 95 | As is | in stock |
| P-873251021 | 97 | As is | 5 mg |
| P-579615817 | 60 | As is | in stock |
| P-854691130 | 95 | As is | in stock |
| P-896630021 | 95 | As is | by synthesis |
| P-584619208 | 95 | As is | in stock |
| P-608279747 | 98 | As is | in stock |
| P-889867141 | 95 | As is | by synthesis |
| P-869177482 | 95 | As is | in stock |
| P-892295524 | 95 | As is | unavailable |
| P-580051615 | 95 | As is | 155 mg |
| P-892337940 | 95 | As is | 154 mg |
| P-855352631 | 90 | As is | in stock |
| P-1271506803 | 95 | As is | by synthesis |
| P-856053176 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 566.509 |
| logP | 5.74 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 159.8 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 155.91 |
| Atoms | 64 |
| Rings | 6 |
| Heavy atoms | 42 |
| Hydrogen atoms | 22 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| 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 |
