MCULE-4505556012
- 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-4786050489
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4505556012.sdf |
| SMILES | MCULE-4505556012.smiles |
| Standard InChI | MCULE-4505556012.inchi |
| InChIKey | MCULE-4505556012.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867575867 | 97 | As is | in stock |
| P-875736096 | N/A | As is | in stock |
| P-869183677 | 95 | As is | in stock |
| P-575539698 | 98 | As is | in stock |
| P-903065736 | 98 | As is | 9 kg |
| P-580239471 | 95 | As is | by synthesis |
| P-606943966 | N/A | As is | in stock |
| P-596930878 | 98 | As is | 100 kg |
| P-608426428 | 95 | As is | 16 g |
| P-864100221 | 95 | As is | in stock |
| P-889740073 | 95 | As is | 95 g |
| P-454639587 | 90 | As is | in stock |
| P-861276702 | 95 | As is | in stock |
| P-868590888 | 96 | As is | in stock |
| P-580428059 | 95 | As is | by resynthesis (? - ? days) |
| P-901368073 | 99 | As is | 236 g |
| P-905331446 | 99 | As is | 25 g |
| P-870655292 | N/A | As is | in stock |
| P-505492538 | 95 | As is | in stock |
| P-890849236 | 95 | As is | in stock |
| P-890849268 | 95 | As is | in stock |
| P-488550442 | 90 | As is | in stock |
| P-454414108 | 97 | As is | 250 g |
| P-855998335 | 97 | As is | 100 mg |
| P-613282341 | 95 | As is | by synthesis |
| P-580511495 | 97 | As is | 2.5 kg |
| P-852599335 | N/A | As is | in stock |
| P-855402318 | 95 | As is | in stock |
| P-492279868 | 95 | As is | 2.49 g |
| P-12680602 | 90 | As is | 2.49 g |
| P-888861618 | N/A | As is | in stock |
| P-500406180 | 99 | As is | by synthesis |
| P-885539961 | 95 | As is | by synthesis |
| P-19580606 | 90 | As is | in stock |
| P-498709680 | 97 | As is | 750 g |
| P-502329724 | 90 | As is | in stock |
| P-903743771 | 94 | As is | by resynthesis (? - ? days) |
| P-611439803 | 90 | As is | in stock |
| P-854636435 | 95 | As is | in stock |
| P-852195448 | N/A | As a main component | by synthesis |
| P-853442784 | 95 | As a main component | in stock |
| P-851395349 | N/A | As a main component | by synthesis |
| P-489147047 | 97 | As a main component | in stock |
| P-590723186 | 95 | As a main component | by synthesis |
| P-895541517 | 95 | As a main component | by synthesis |
| P-611564467 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 108.141 |
| logP | 1.5534 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 38.91 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 33.6074 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 8 |
| 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 |

