MCULE-8116748590
- 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 | 95 | 14 working days | Get Quote |
| 5 mg | 6 USD | 95 | 14 working days | Get Quote |
| 10 mg | 6 USD | 95 | 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-4266186723
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8116748590.sdf |
| SMILES | MCULE-8116748590.smiles |
| Standard InChI | MCULE-8116748590.inchi |
| InChIKey | MCULE-8116748590.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867560221 | 95 | As is | in stock |
| P-875721418 | 99 | As is | in stock |
| P-1275158918 | 95 | As is | in stock |
| P-1275191951 | 99 | As is | in stock |
| P-903050018 | 95 | As is | 1000 g |
| P-905486682 | 97 | As is | 100 g |
| P-1270272374 | 95 | As is | in stock |
| P-606848895 | N/A | As is | in stock |
| P-489217877 | 97 | As is | in stock |
| P-1275594747 | 70 | As is | 16 mg |
| P-596927725 | 98 | As is | 1000 g |
| P-1273455079 | 95 | As is | by resynthesis (? - ? days) |
| P-585299239 | 95 | As is | by resynthesis (? - ? days) |
| P-864160989 | 95 | As is | in stock |
| P-580716710 | 95 | As is | 105 g |
| P-607692704 | 90 | As is | 9 mg |
| P-868615608 | 98 | As is | in stock |
| P-34458859 | 90 | As is | by synthesis |
| P-580406570 | 95 | As is | by resynthesis (? - ? days) |
| P-862031931 | 98 | As is | 2.16162 kg |
| P-524182148 | 95 | As is | 500 mg |
| P-563468274 | 97 | As is | 1000 mg |
| P-856009222 | 99 | As is | 100 mg |
| P-579623517 | 98 | As is | in stock |
| P-856040235 | 90 | As is | 10 g |
| P-31276695 | 90 | As is | 10 g |
| P-854692658 | 95 | As is | in stock |
| P-1272494227 | 95 | As is | in stock |
| P-619672969 | 98 | As is | in stock |
| P-888879741 | N/A | As is | in stock |
| P-500397640 | 98 | As is | by synthesis |
| P-885540900 | 95 | As is | by synthesis |
| P-617403692 | 98 | As is | in stock |
| P-869177559 | 95 | As is | in stock |
| P-594274237 | 95 | As is | 1000 mg |
| P-892295787 | 95 | As is | 1000 mg |
| P-892338173 | 95 | As is | 1000 mg |
| P-22659898 | 90 | As is | in stock |
| P-502369142 | 90 | As is | in stock |
| P-906771506 | 95 | As is | by synthesis |
| P-906820769 | 98 | As is | by synthesis |
| P-906773466 | 98 | As is | by synthesis |
| P-855013477 | 90 | As is | in stock |
| P-1144051 | 90 | As is | 4 mg |
| P-575325679 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 132.114 |
| logP | 0.1818 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 74.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 29.6926 |
| Atoms | 17 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

