Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2913964954
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 | 22 USD | 98 | 20 working days | Get Quote |
| 5 mg | 22 USD | 98 | 20 working days | Get Quote |
| 10 mg | 22 USD | 98 | 20 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.
-
MCULE-3130688077
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2913964954.sdf |
| SMILES | MCULE-2913964954.smiles |
| Standard InChI | MCULE-2913964954.inchi |
| InChIKey | MCULE-2913964954.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893147239 | N/A | As is | by synthesis |
| P-875718771 | N/A | As a main component | in stock |
| P-869192597 | 95 | As a main component | in stock |
| P-616207793 | 98 | As a main component | in stock |
| P-903047295 | 98 | As a main component | 25 g |
| P-893607725 | 90 | As a main component | 8.399 g |
| P-851930459 | N/A | As a main component | in stock |
| P-619202300 | 98 | As a main component | 9 g |
| P-864146008 | 98 | As a main component | in stock |
| P-1263662494 | 95 | As a main component | in stock |
| P-851263758 | 95 | As a main component | by synthesis |
| P-868609361 | 95 | As a main component | in stock |
| P-862021072 | 98 | As a main component | in stock |
| P-855912846 | 97 | As a main component | 1000 mg |
| P-856017731 | 90 | As a main component | 250 mg |
| P-852462379 | N/A | As a main component | in stock |
| P-674778811 | 97 | As a main component | 2.683 kg |
| P-854691271 | 95 | As a main component | in stock |
| P-872674957 | 95 | As a main component | in stock |
| P-619672714 | 98 | As a main component | in stock |
| P-873226035 | 90 | As a main component | in stock |
| P-854979936 | 90 | As a main component | in stock |
| P-854638071 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 213.213 |
| logP | 2.4303 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 87.77 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.5195 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 7 |
| Heteroatoms | 6 |
| 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 |
