MCULE-2304051060
- 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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 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-2304051060.sdf |
| SMILES | MCULE-2304051060.smiles |
| Standard InChI | MCULE-2304051060.inchi |
| InChIKey | MCULE-2304051060.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588084 | 98 | As is | in stock |
| P-875747278 | 98 | As is | in stock |
| P-1275143680 | 95 | As is | in stock |
| P-1275195427 | 98 | As is | in stock |
| P-903078236 | 98 | As is | 770.4 g |
| P-893559502 | 90 | As is | 5.92438 kg |
| P-580244560 | 95 | As is | by synthesis |
| P-617068190 | 95 | As is | in stock |
| P-606871629 | N/A | As is | in stock |
| P-489168850 | 97 | As is | in stock |
| P-596955198 | 98 | As is | 1000 g |
| P-494351953 | 95 | As is | 2.2 g |
| P-864131632 | 95 | As is | in stock |
| P-893251300 | 95 | As is | by synthesis |
| P-577155134 | 90 | As is | by synthesis |
| P-851267030 | 95 | As is | by synthesis |
| P-868595271 | 97 | As is | in stock |
| P-861987622 | 98 | As is | 1.96149 kg |
| P-905338353 | 98 | As is | 71 g |
| P-454405507 | 95 | As is | 25 g |
| P-18769731 | 95 | As is | 100 mg |
| P-579624814 | 95 | As is | in stock |
| P-611665385 | N/A | As is | by synthesis |
| P-1272573796 | 95 | As is | 10 g |
| P-852417352 | 95 | As is | by synthesis |
| P-854733974 | 95 | As is | in stock |
| P-885541626 | 95 | As is | by synthesis |
| P-498671273 | 96 | As is | 246.3 g |
| P-502395017 | 90 | As is | in stock |
| P-611414109 | 90 | As is | in stock |
| P-1271637217 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.643 |
| logP | 2.1408 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 45.0727 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

