Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8877248966
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-8877248966.sdf |
| SMILES | MCULE-8877248966.smiles |
| Standard InChI | MCULE-8877248966.inchi |
| InChIKey | MCULE-8877248966.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867585332 | 97 | As is | in stock |
| P-875743896 | N/A | As is | in stock |
| P-597024870 | 97 | As is | in stock |
| P-903074438 | 98 | As is | 2 kg |
| P-905482789 | 98 | As is | 1000 g |
| P-580240967 | 95 | As is | by synthesis |
| P-606870847 | N/A | As is | in stock |
| P-489119690 | 97 | As is | in stock |
| P-596954081 | 98 | As is | 13.5 kg |
| P-870026104 | 90 | As is | 737 mg |
| P-864131917 | 95 | As is | in stock |
| P-889740331 | 95 | As is | 22 g |
| P-580720572 | 97 | As is | 2.925 kg |
| P-905499609 | N/A | As is | in stock |
| P-893223889 | 95 | As is | in stock |
| P-851279730 | 95 | As is | by synthesis |
| P-868639492 | 98 | As is | in stock |
| P-905336622 | 95 | As is | 766 g |
| P-861984096 | 95 | As is | 12.945 kg |
| P-870647053 | N/A | As is | in stock |
| P-505523096 | 95 | As is | in stock |
| P-502553905 | 95 | As is | by synthesis |
| P-493673712 | N/A | As is | in stock |
| P-885854064 | 96 | As is | in stock |
| P-524183628 | 97 | As is | 500 g |
| P-579614105 | 95 | As is | 2.5 kg |
| P-31189377 | 90 | As is | 500 mg |
| P-500222276 | 98 | As is | in stock |
| P-613283687 | 95 | As is | by synthesis |
| P-580474938 | 98 | As is | by synthesis |
| P-852410650 | N/A | As is | in stock |
| P-617693019 | 90 | As is | 1.5 g |
| P-578151896 | 90 | As is | 1.5 g |
| P-885541796 | 95 | As is | by synthesis |
| P-424928306 | 90 | As is | in stock |
| P-596754287 | 95 | As is | 3.28 kg |
| P-502372946 | 90 | As is | in stock |
| P-33716623 | 94 | As is | by resynthesis (? - ? days) |
| P-906770399 | 98 | As is | by synthesis |
| P-3091916 | 90 | As is | 1.249 g |
| P-615395673 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 203.235 |
| logP | 1.7652 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.7005 |
| Atoms | 31 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
