MCULE-1085539969
- 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-1085539969.sdf |
| SMILES | MCULE-1085539969.smiles |
| Standard InChI | MCULE-1085539969.inchi |
| InChIKey | MCULE-1085539969.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867595792 | 98 | As is | in stock |
| P-875754337 | 98 | As is | in stock |
| P-597028522 | 97 | As is | unavailable |
| P-505397806 | 98 | As is | by resynthesis (? - ? days) |
| P-903088264 | 98 | As is | 22.65 g |
| P-905487333 | 95 | As is | 10 g |
| P-492294688 | 95 | As is | in stock |
| P-893512221 | 90 | As is | 1.35046 kg |
| P-1270393227 | 98 | As is | in stock |
| P-851939800 | N/A | As is | in stock |
| P-606927127 | N/A | As is | in stock |
| P-489205071 | 97 | As is | in stock |
| P-596957937 | 98 | As is | 16.4 g |
| P-596660068 | 95 | As is | 35 g |
| P-1273379009 | 95 | As is | by resynthesis (? - ? days) |
| P-889490648 | 95 | As is | by synthesis |
| P-864105086 | 95 | As is | in stock |
| P-619603207 | 95 | As is | 250 mg |
| P-584628401 | 98 | As is | 57.5 g |
| P-901459778 | 95 | As is | by synthesis |
| P-675015374 | 95 | As is | in stock |
| P-675015375 | 95 | As is | in stock |
| P-851244685 | 95 | As is | by synthesis |
| P-861271436 | 95 | As is | in stock |
| P-870582811 | 98 | As is | in stock |
| P-868596858 | 98 | As is | in stock |
| P-580435252 | 95 | As is | by resynthesis (? - ? days) |
| P-905338968 | 95 | As is | 27 g |
| P-862000329 | 95 | As is | 764.96 g |
| P-524186913 | 98 | As is | 1000 mg |
| P-855996358 | 98 | As is | 100 mg |
| P-608079226 | 95 | As is | in stock |
| P-1272592360 | 95 | As is | 100 g |
| P-852488956 | 95 | As is | by synthesis |
| P-854726166 | 95 | As is | in stock |
| P-888866235 | N/A | As is | in stock |
| P-889869829 | 95 | As is | by synthesis |
| P-505617538 | 95 | As is | in stock |
| P-873286093 | N/A | As is | in stock |
| P-579707341 | N/A | As is | in stock |
| P-596768461 | 98 | As is | 476.4 g |
| P-906823172 | 98 | As is | by synthesis |
| P-906830706 | 97 | As is | by synthesis |
| P-906798028 | 95 | As is | by synthesis |
| P-906756568 | 98 | As is | by synthesis |
| P-906786547 | 97 | As is | by synthesis |
| P-906789116 | 98 | As is | by synthesis |
| P-906851326 | 95 | As is | by synthesis |
| P-611456022 | 90 | As is | in stock |
| P-894949255 | 85 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 266.036 |
| logP | 1.191 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 54.98 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.3912 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

