MCULE-5796368820
- 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.
| Name | File |
|---|---|
| SDF | MCULE-5796368820.sdf |
| SMILES | MCULE-5796368820.smiles |
| Standard InChI | MCULE-5796368820.inchi |
| InChIKey | MCULE-5796368820.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867575754 | 98 | As is | in stock |
| P-875736151 | N/A | As is | in stock |
| P-869195779 | 95 | As is | in stock |
| P-590380821 | 98 | As is | in stock |
| P-903065942 | 98 | As is | 300 g |
| P-907313567 | 95 | As is | by synthesis |
| P-606863581 | N/A | As is | in stock |
| P-489138616 | 97 | As is | in stock |
| P-596930885 | 98 | As is | 2.5 kg |
| P-494330232 | 95 | As is | by resynthesis (? - ? days) |
| P-864084822 | 97 | As is | in stock |
| P-580716236 | 98 | As is | 765 g |
| P-454639616 | 90 | As is | in stock |
| P-449269374 | 90 | As is | 151.995 g |
| P-675062436 | 90 | As is | in stock |
| P-851255607 | 95 | As is | by synthesis |
| P-868577856 | 98 | As is | in stock |
| P-580759760 | 90 | As is | by synthesis |
| P-580420947 | 95 | As is | by resynthesis (? - ? days) |
| P-905347299 | 97 | As is | 151 g |
| P-862034413 | 97 | As is | 734.138 g |
| P-890203988 | 90 | As is | 3.46 g |
| P-579483490 | 90 | As is | 3.46 g |
| P-505542144 | 95 | As is | in stock |
| P-502532959 | 95 | As is | by synthesis |
| P-504609429 | 90 | As is | by synthesis |
| P-488550480 | 90 | As is | in stock |
| P-454342362 | 95 | As is | 94 mg |
| P-454411611 | 95 | As is | 100 g |
| P-608079244 | 98 | As is | 2 kg |
| P-14818850 | 90 | As is | 190 mg |
| P-468070338 | 95 | As is | 190 mg |
| P-580511135 | 97 | As is | 650 g |
| P-852441981 | N/A | As is | in stock |
| P-904721196 | 90 | As is | in stock |
| P-854736319 | 95 | As is | in stock |
| P-454372067 | 92 | As is | in stock |
| P-500391935 | 98 | As is | by synthesis |
| P-885538801 | 95 | As is | by synthesis |
| P-19306112 | 90 | As is | in stock |
| P-613814763 | 95 | As is | in stock |
| P-596779785 | 98 | As is | 1.28 kg |
| P-502329711 | 90 | As is | in stock |
| P-888580071 | 94 | As is | by resynthesis (? - ? days) |
| P-611438038 | 90 | As is | in stock |
| P-580072389 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 109.129 |
| logP | 0.9484 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 51.8 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 31.4024 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

