Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8578472069
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 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 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.
-
MCULE-5933854897
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8578472069.sdf |
| SMILES | MCULE-8578472069.smiles |
| Standard InChI | MCULE-8578472069.inchi |
| InChIKey | MCULE-8578472069.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867611310 | 98 | As is | in stock |
| P-875771245 | 98 | As is | in stock |
| P-1275153756 | 95 | As is | in stock |
| P-1275181160 | 98 | As is | in stock |
| P-1275178615 | 98 | As is | in stock |
| P-851931373 | N/A | As is | in stock |
| P-489200222 | 97 | As is | in stock |
| P-596962623 | 98 | As is | 1.5 kg |
| P-1273339529 | 95 | As is | by resynthesis (? - ? days) |
| P-864164679 | 95 | As is | in stock |
| P-608405730 | 90 | As is | in stock |
| P-10539405 | 90 | As is | 58 mg |
| P-517290247 | 95 | As is | in stock |
| P-34866484 | 90 | As is | in stock |
| P-868608572 | 98 | As is | in stock |
| P-889109635 | 95 | As is | 24.025 kg |
| P-870661561 | 98 | As is | in stock |
| P-505492830 | 95 | As is | in stock |
| P-524163674 | 98 | As is | 24.993 g |
| P-856005750 | 98 | As is | 24.993 g |
| P-31160411 | 90 | As is | 10 g |
| P-1272575512 | N/A | As is | 500 mg |
| P-852426755 | N/A | As is | by synthesis |
| P-500404091 | 98 | As is | by synthesis |
| P-885541560 | 95 | As is | by synthesis |
| P-424807387 | 90 | As is | in stock |
| P-892270505 | 95 | As is | unavailable |
| P-892348455 | 95 | As is | unavailable |
| P-22641662 | 90 | As is | in stock |
| P-502385730 | 90 | As is | in stock |
| P-888440711 | 94 | As is | by resynthesis (? - ? days) |
| P-488573 | 90 | As is | 110 mg |
| P-1271687551 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 543.869 |
| logP | 6.4737 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 40.46 |
| RO5 violations | 2 |
| RO3 violations | 2 |
| Refractivity | 100.238 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
