MCULE-8004234494
- 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 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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-5437485566
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8004234494.sdf |
| SMILES | MCULE-8004234494.smiles |
| Standard InChI | MCULE-8004234494.inchi |
| InChIKey | MCULE-8004234494.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587438 | 98 | As is | in stock |
| P-875746345 | N/A | As is | in stock |
| P-580247848 | 95 | As is | by synthesis |
| P-606842091 | N/A | As is | in stock |
| P-596931663 | 98 | As is | 25 kg |
| P-864183989 | 95 | As is | in stock |
| P-864136495 | 95 | As is | in stock |
| P-893220699 | 95 | As is | in stock |
| P-580426781 | 95 | As is | by resynthesis (? - ? days) |
| P-579484065 | 90 | As is | 2.173 g |
| P-890204464 | 90 | As is | 2.173 g |
| P-505506770 | 95 | As is | in stock |
| P-890849861 | 95 | As is | in stock |
| P-488544247 | 90 | As is | in stock |
| P-14004821 | 92 | As is | 300 mg |
| P-601091941 | 95 | As is | 325 mg |
| P-899777133 | 90 | As is | 325 mg |
| P-35189010 | 90 | As is | 1.784 kg |
| P-620218344 | 95 | As is | 1000 mg |
| P-619998833 | 90 | As is | 1000 mg |
| P-892213612 | 95 | As is | by synthesis |
| P-869175366 | 95 | As is | in stock |
| P-892286455 | 95 | As is | 902 mg |
| P-892309994 | 95 | As is | 902 mg |
| P-611382431 | 90 | As is | in stock |
| P-904629013 | 95 | As a main component | in stock |
| P-851476051 | N/A | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.225 |
| logP | 1.8226 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 79.11 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 57.3579 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |

