MCULE-4863920681
- 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-4863920681.sdf |
| SMILES | MCULE-4863920681.smiles |
| Standard InChI | MCULE-4863920681.inchi |
| InChIKey | MCULE-4863920681.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565028 | 98 | As is | in stock |
| P-875724653 | N/A | As is | in stock |
| P-535627220 | 95 | As is | in stock |
| P-505347749 | 98 | As is | in stock |
| P-903053915 | 98 | As is | 6 kg |
| P-866098071 | 95 | As is | 20 g |
| P-580237875 | 95 | As is | by synthesis |
| P-606907140 | N/A | As is | in stock |
| P-489113234 | 97 | As is | in stock |
| P-596928861 | 98 | As is | 22 kg |
| P-494347234 | 95 | As is | 561.1 g |
| P-864098794 | 95 | As is | in stock |
| P-580726750 | 98 | As is | 1.15 kg |
| P-578621879 | 90 | As is | in stock |
| P-851272591 | 95 | As is | by synthesis |
| P-868576844 | 98 | As is | in stock |
| P-861300689 | 90 | As is | by synthesis |
| P-580414657 | 95 | As is | by resynthesis (? - ? days) |
| P-905337855 | 95 | As is | in stock |
| P-870657301 | N/A | As is | in stock |
| P-505495767 | 95 | As is | in stock |
| P-454312836 | 95 | As is | 443 mg |
| P-454399235 | 95 | As is | 1000 g |
| P-579633297 | 95 | As is | by resynthesis (? - ? days) |
| P-31257057 | 90 | As is | unavailable |
| P-580477050 | N/A | As is | by synthesis |
| P-852383101 | N/A | As is | in stock |
| P-428094063 | 95 | As is | 9.366 kg |
| P-902989412 | 95 | As is | by synthesis |
| P-617673573 | 90 | As is | 150 mg |
| P-500405101 | N/A | As is | by synthesis |
| P-500383208 | 98 | As is | by synthesis |
| P-885535816 | 95 | As is | by synthesis |
| P-868148784 | 90 | As is | in stock |
| P-596768341 | 98 | As is | 2.28 kg |
| P-502371843 | 90 | As is | in stock |
| P-23191740 | 94 | As is | by resynthesis (? - ? days) |
| P-906760264 | 98 | As is | by synthesis |
| P-611455953 | 90 | As is | in stock |
| P-617794492 | 90 | As is | 300 mg |
| P-615392799 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 185.606 |
| logP | 1.9117 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 39.19 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.3335 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| 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 |

