MCULE-5375252521
- 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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 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-1363799061
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5375252521.sdf |
| SMILES | MCULE-5375252521.smiles |
| Standard InChI | MCULE-5375252521.inchi |
| InChIKey | MCULE-5375252521.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867572224 | 98 | As is | in stock |
| P-875732805 | N/A | As is | in stock |
| P-881673402 | 98 | As is | in stock |
| P-903062389 | 98 | As is | 50 g |
| P-893509464 | 90 | As is | 1.33188 kg |
| P-887309542 | N/A | As is | in stock |
| P-489188547 | 97 | As is | in stock |
| P-597006455 | 98 | As is | 100 g |
| P-605394328 | 95 | As is | by resynthesis (? - ? days) |
| P-864111227 | 95 | As is | in stock |
| P-889740425 | 95 | As is | 7 g |
| P-901496190 | 95 | As is | by synthesis |
| P-878239797 | 98 | As is | in stock |
| P-896633489 | 95 | As is | by synthesis |
| P-868579169 | 98 | As is | in stock |
| P-905329030 | 98 | As is | 1.6 g |
| P-861925607 | 98 | As is | 1.6 g |
| P-505519949 | 95 | As is | in stock |
| P-502529047 | 95 | As is | by synthesis |
| P-454322188 | 95 | As is | 537 mg |
| P-454402940 | 95 | As is | 10 g |
| P-856043166 | 90 | As is | 1000 mg |
| P-31226691 | 90 | As is | 1000 mg |
| P-852406503 | N/A | As is | in stock |
| P-867943875 | 95 | As is | in stock |
| P-500390159 | 97 | As is | by synthesis |
| P-885543519 | 95 | As is | by synthesis |
| P-502372624 | 90 | As is | in stock |
| P-906757911 | 95 | As is | by synthesis |
| P-588840035 | N/A | As is | by synthesis |
| P-615391882 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 187.241 |
| logP | 1.36168 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 39.06 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 62.5157 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

