Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2538735041
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 | 13 USD | 98 | 9 working days | Get Quote |
| 5 mg | 13 USD | 98 | 9 working days | Get Quote |
| 10 mg | 13 USD | 98 | 9 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-2538735041.sdf |
| SMILES | MCULE-2538735041.smiles |
| Standard InChI | MCULE-2538735041.inchi |
| InChIKey | MCULE-2538735041.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867547384 | 98 | As is | in stock |
| P-875704623 | 95 | As is | in stock |
| P-1275170430 | 95 | As is | in stock |
| P-851951981 | N/A | As is | in stock |
| P-489227221 | 97 | As is | in stock |
| P-597006833 | 95 | As is | unavailable |
| P-864196689 | 95 | As is | in stock |
| P-893253103 | 95 | As is | by synthesis |
| P-881633679 | 98 | As is | in stock |
| P-868613861 | 98 | As is | in stock |
| P-862031716 | 95 | As is | 400 g |
| P-1275230066 | 97 | As is | 8.9245 kg |
| P-596570621 | 95 | As is | 100 g |
| P-1275249734 | 95 | As is | 10 g |
| P-601254882 | 95 | As is | 21.995 g |
| P-601071476 | 90 | As is | 21.995 g |
| P-1271845481 | 95 | As is | in stock |
| P-854693334 | 95 | As is | in stock |
| P-896625502 | 95 | As is | by synthesis |
| P-888172462 | 98 | As is | by synthesis |
| P-885540830 | 95 | As is | by synthesis |
| P-617403296 | 98 | As is | in stock |
| P-869178450 | 95 | As is | in stock |
| P-892274614 | 95 | As is | 1.012 g |
| P-892299438 | 95 | As is | 1.012 g |
| P-892351022 | 95 | As is | 1.012 g |
| P-855246966 | 90 | As is | in stock |
| P-1271662583 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 198.301 |
| logP | 3.3221 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.609 |
| Atoms | 36 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 22 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
