MCULE-5406488501
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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.
-
MCULE-4446575365
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5406488501.sdf |
| SMILES | MCULE-5406488501.smiles |
| Standard InChI | MCULE-5406488501.inchi |
| InChIKey | MCULE-5406488501.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867604656 | 98 | As is | in stock |
| P-875762403 | 98 | As is | in stock |
| P-1275184147 | 95 | As is | in stock |
| P-1275187328 | 98 | As is | in stock |
| P-903099615 | 98 | As is | 100 g |
| P-907313368 | 95 | As is | by synthesis |
| P-580237372 | 95 | As is | by synthesis |
| P-606871627 | N/A | As is | in stock |
| P-489137981 | 97 | As is | in stock |
| P-596960182 | 98 | As is | 200 g |
| P-494346361 | 95 | As is | 17.5 g |
| P-864102270 | 98 | As is | in stock |
| P-481171948 | 95 | As is | 3 g |
| P-851259013 | 95 | As is | by synthesis |
| P-868590113 | 98 | As is | in stock |
| P-580421684 | 95 | As is | by resynthesis (? - ? days) |
| P-861957654 | 98 | As is | 1.778 kg |
| P-905332069 | 98 | As is | 6 g |
| P-901378795 | 98 | As is | 855 g |
| P-870655547 | N/A | As is | in stock |
| P-505491970 | 95 | As is | in stock |
| P-900317132 | 95 | As is | by synthesis |
| P-454406947 | 95 | As is | 25 g |
| P-454329021 | 95 | As is | 100 mg |
| P-613367497 | 98 | As is | by synthesis |
| P-1272567357 | 98 | As is | 200 g |
| P-852388748 | 98 | As is | by synthesis |
| P-519749987 | 97 | As is | in stock |
| P-492281544 | 95 | As is | 1.4 g |
| P-12689352 | 90 | As is | 1.4 g |
| P-888871296 | N/A | As is | in stock |
| P-500383197 | 98 | As is | by synthesis |
| P-885539473 | 95 | As is | by synthesis |
| P-1273147410 | N/A | As is | unavailable |
| P-613816842 | 95 | As is | in stock |
| P-498673326 | 97 | As is | 3.1723 kg |
| P-502329239 | 90 | As is | in stock |
| P-615648789 | 95 | As is | unavailable |
| P-480961227 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 172.567 |
| logP | 2.4748 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 58.71 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 43.035 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 5 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

