MCULE-3840467199
- 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 | 71 USD | 95 | 26 working days | Get Quote |
| 5 mg | 71 USD | 95 | 26 working days | Get Quote |
| 10 mg | 82 USD | 95 | 26 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-3840467199.sdf |
| SMILES | MCULE-3840467199.smiles |
| Standard InChI | MCULE-3840467199.inchi |
| InChIKey | MCULE-3840467199.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867605410 | 95 | As is | in stock |
| P-901314977 | N/A | As is | in stock |
| P-890149249 | N/A | As is | in stock |
| P-597015225 | 95 | As is | in stock |
| P-615729793 | 95 | As is | in stock |
| P-893367417 | 90 | As is | by synthesis |
| P-580233296 | 95 | As is | by synthesis |
| P-851742714 | N/A | As is | by synthesis |
| P-489156297 | 97 | As is | in stock |
| P-589658606 | 95 | As is | by resynthesis (? - ? days) |
| P-864249549 | 95 | As is | by synthesis |
| P-864126965 | 95 | As is | in stock |
| P-590944373 | 95 | As is | by synthesis |
| P-492249593 | 95 | As is | in stock |
| P-577180609 | 90 | As is | by synthesis |
| P-436462891 | 95 | As is | 40 g |
| P-868592535 | 95 | As is | in stock |
| P-868636058 | 95 | As is | in stock |
| P-580279296 | 95 | As is | by resynthesis (? - ? days) |
| P-579522456 | 90 | As is | 1 mg |
| P-890211290 | 90 | As is | in stock |
| P-502453864 | 95 | As is | by synthesis |
| P-675513545 | 95 | As is | in stock |
| P-524174947 | 95 | As is | unavailable |
| P-615643305 | 95 | As is | in stock |
| P-860788564 | N/A | As is | by synthesis |
| P-852433674 | N/A | As is | in stock |
| P-854796389 | 95 | As is | by synthesis |
| P-859988760 | 95 | As is | by synthesis |
| P-579704585 | N/A | As is | in stock |
| P-502391185 | 90 | As is | in stock |
| P-611443365 | 90 | As is | in stock |
| P-893943984 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 140.140 |
| logP | 0.6703 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 35.32 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

