Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2258283315
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 | 18 USD | 98 | 8 working days | Get Quote |
| 5 mg | 33 USD | 98 | 16 working days | Get Quote |
| 10 mg | 60 USD | 98 | 16 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-2258283315.sdf |
| SMILES | MCULE-2258283315.smiles |
| Standard InChI | MCULE-2258283315.inchi |
| InChIKey | MCULE-2258283315.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875810550 | 98 | As is | in stock |
| P-860056288 | 98 | As is | by synthesis |
| P-580726908 | 98 | As is | 1.532 g |
| P-851249198 | 95 | As is | by synthesis |
| P-861368555 | 95 | As is | by synthesis |
| P-579479512 | 95 | As is | in stock |
| P-1272597828 | 95 | As is | 1000 mg |
| P-852523000 | 95 | As is | by synthesis |
| P-854718487 | 95 | As is | in stock |
| P-474024460 | 95 | As is | in stock |
| P-608276541 | 98 | As is | in stock |
| P-867644131 | 98 | As an isomer | in stock |
| P-590360375 | 98 | As an isomer | by resynthesis (? - ? days) |
| P-580193041 | 98 | As an isomer | in stock |
| P-893543595 | 90 | As an isomer | 4.425 g |
| P-1270272096 | 98 | As an isomer | in stock |
| P-606950500 | N/A | As an isomer | in stock |
| P-596969589 | 98 | As an isomer | 1000 mg |
| P-1273451772 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864150007 | 95 | As an isomer | in stock |
| P-868544905 | 99 | As an isomer | in stock |
| P-901535360 | 95 | As an isomer | by synthesis |
| P-860798592 | 98 | As an isomer | in stock |
| P-901411101 | 98 | As an isomer | 1000 mg |
| P-675216153 | 95 | As an isomer | in stock |
| P-1273109190 | 97 | As an isomer | 100 mg |
| P-888897434 | N/A | As an isomer | in stock |
| P-579712212 | 98 | As an isomer | in stock |
| P-873285409 | N/A | As an isomer | in stock |
| P-892290291 | 95 | As an isomer | unavailable |
| P-869124145 | 95 | As an isomer | 190 mg |
| P-888638024 | 95 | As an isomer | 190 mg |
| P-1271713333 | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 397.634 |
| logP | 4.5258 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 58.97 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 100.737 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 11 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
