MCULE-2235064767-0
- 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 | 30 USD | 95 | 7 working days | Get Quote |
| 5 mg | 49 USD | 98 | 22 working days | Get Quote |
| 10 mg | 83 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.
-
1
MCULE-3131778281-0
- Component type: Main
-
1
MCULE-9976402631-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2235064767-0.sdf |
| SMILES | MCULE-2235064767-0.smiles |
| Standard InChI | MCULE-2235064767-0.inchi |
| InChIKey | MCULE-2235064767-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616408 | 99 | As is | in stock |
| P-875777703 | N/A | As is | in stock |
| P-595215435 | 98 | As is | in stock |
| P-903120622 | N/A | As is | 50 mg |
| P-851484556 | N/A | As is | by synthesis |
| P-895097201 | N/A | As is | 50 mg |
| P-889497975 | 95 | As is | by synthesis |
| P-590773173 | 98 | As is | by synthesis |
| P-901458570 | 95 | As is | by synthesis |
| P-873251962 | 95 | As is | 10 mg |
| P-1263155779 | 95 | As is | by synthesis |
| P-854713419 | 95 | As is | in stock |
| P-888169659 | 98 | As is | by synthesis |
| P-869110540 | 95 | As is | by synthesis |
| P-888628782 | 95 | As is | unavailable |
| P-893666379 | 95 | As is | by synthesis |
| P-613854139 | 98 | Main component | in stock |
| P-893573248 | 90 | Main component | 13.298 g |
| P-891646320 | N/A | Main component | by synthesis |
| P-489118319 | 97 | Main component | in stock |
| P-872723220 | 98 | Main component | in stock |
| P-864264164 | 98 | Main component | by synthesis |
| P-892401496 | 98 | Main component | by synthesis |
| P-901507578 | 95 | Main component | by synthesis |
| P-851242901 | 95 | Main component | by synthesis |
| P-860797603 | 98 | Main component | in stock |
| P-861381075 | 95 | Main component | by synthesis |
| P-608496668 | 95 | Main component | in stock |
| P-890213127 | 90 | Main component | in stock |
| P-590335510 | 90 | Main component | 12 g |
| P-675215921 | 95 | Main component | in stock |
| P-852520972 | N/A | Main component | in stock |
| P-904640563 | 95 | Main component | by synthesis |
| P-854718663 | 95 | Main component | in stock |
| P-871069604 | 95 | Main component | in stock |
| P-871069605 | 95 | Main component | in stock |
| P-888171165 | 98 | Main component | by synthesis |
| P-859991452 | 95 | Main component | by synthesis |
| P-579711116 | N/A | Main component | in stock |
| P-869161836 | 95 | Main component | by synthesis |
| P-892296660 | 95 | Main component | unavailable |
| P-888657221 | 95 | Main component | 45 mg |
| P-855006166 | 90 | Main component | in stock |
| P-480840465 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 632.609 |
| logP | 6.4163 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 177.37 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 154.3659 |
| Atoms | 71 |
| Rings | 4 |
| Heavy atoms | 44 |
| Hydrogen atoms | 27 |
| Heteroatoms | 15 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |

