MCULE-2454889877
- 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 | 12 USD | 98 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 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-2177643320
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2454889877.sdf |
| SMILES | MCULE-2454889877.smiles |
| Standard InChI | MCULE-2454889877.inchi |
| InChIKey | MCULE-2454889877.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867591312 | 98 | As is | in stock |
| P-875749885 | N/A | As is | in stock |
| P-505347590 | 98 | As is | in stock |
| P-535624493 | 99 | As is | in stock |
| P-903080975 | 98 | As is | 700 g |
| P-893576264 | 90 | As is | 128.146 g |
| P-489181493 | 97 | As is | in stock |
| P-596931876 | 98 | As is | 125 g |
| P-872727548 | 98 | As is | in stock |
| P-895936651 | 95 | As is | by resynthesis (? - ? days) |
| P-869990424 | 90 | As is | 1000 mg |
| P-864145389 | 95 | As is | in stock |
| P-860055501 | 98 | As is | by synthesis |
| P-893222781 | 95 | As is | in stock |
| P-578049805 | 98 | As is | in stock |
| P-851306113 | 95 | As is | by synthesis |
| P-868610165 | 98 | As is | in stock |
| P-868662502 | 95 | As is | in stock |
| P-905315199 | 95 | As is | in stock |
| P-870655654 | N/A | As is | in stock |
| P-893288946 | 90 | As is | in stock |
| P-890202996 | 90 | As is | 100 mg |
| P-503003851 | 90 | As is | in stock |
| P-454330334 | 90 | As is | 111 mg |
| P-454407513 | 90 | As is | 100 g |
| P-852547076 | N/A | As is | in stock |
| P-905146276 | 95 | As is | by synthesis |
| P-865621466 | 95 | As is | in stock |
| P-608280016 | 98 | As is | in stock |
| P-889865757 | 95 | As is | by synthesis |
| P-617402635 | N/A | As is | in stock |
| P-516411734 | 80 | As is | 1.019 g |
| P-580050196 | 95 | As is | by synthesis |
| P-869176384 | 95 | As is | in stock |
| P-892292927 | 95 | As is | unavailable |
| P-892328414 | 95 | As is | 200 mg |
| P-33162363 | 90 | As is | 351 mg |
| P-615452952 | 95 | As is | in stock |
| P-24325291 | 92 | As a main component | 205 mg |
| P-674416192 | 92 | As a main component | 205 mg |
| P-617783936 | 90 | As a main component | 57 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 272.296 |
| logP | 4.6132 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 30.21 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 85.426 |
| Atoms | 33 |
| Rings | 4 |
| Heavy atoms | 21 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

