MCULE-8127276921
- 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 | 19 USD | 90 | 21 working days | Get Quote |
| 5 mg | 19 USD | 90 | 21 working days | Get Quote |
| 10 mg | 19 USD | 90 | 21 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-2582723632
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8127276921.sdf |
| SMILES | MCULE-8127276921.smiles |
| Standard InChI | MCULE-8127276921.inchi |
| InChIKey | MCULE-8127276921.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867599059 | 95 | As is | in stock |
| P-875756929 | 95 | As is | in stock |
| P-869333949 | 95 | As is | by resynthesis (? - ? days) |
| P-903091916 | 95 | As is | 5 g |
| P-851398589 | N/A | As is | by synthesis |
| P-1273440401 | 95 | As is | by resynthesis (? - ? days) |
| P-901350882 | 95 | As is | by synthesis |
| P-481170153 | 95 | As is | 10 g |
| P-590725835 | 95 | As is | by synthesis |
| P-492253795 | 95 | As is | in stock |
| P-6854838 | 90 | As is | 9 mg |
| P-454636360 | 90 | As is | in stock |
| P-10543048 | 90 | As is | 119.995 g |
| P-153316 | 90 | As is | unavailable |
| P-436453497 | 95 | As is | in stock |
| P-578527431 | 90 | As is | in stock |
| P-861557333 | 95 | As is | by synthesis |
| P-580425481 | 95 | As is | by resynthesis (? - ? days) |
| P-579483011 | 90 | As is | 1.312 g |
| P-890203558 | 90 | As is | in stock |
| P-502475282 | 95 | As is | by synthesis |
| P-502923262 | 90 | As is | in stock |
| P-454362221 | 90 | As is | 95 mg |
| P-588253261 | N/A | As is | by synthesis |
| P-1272571633 | N/A | As is | 500 mg |
| P-852407300 | N/A | As is | by synthesis |
| P-35254699 | 90 | As is | in stock |
| P-854844158 | 95 | As is | by synthesis |
| P-26525852 | 90 | As is | 50 mg |
| P-19080563 | 90 | As is | in stock |
| P-896233409 | 90 | As is | 12 mg |
| P-502358789 | 90 | As is | in stock |
| P-22482756 | 90 | As is | 150 mg |
| P-1272898966 | 94 | As is | by resynthesis (? - ? days) |
| P-611434571 | 90 | As is | in stock |
| P-800302 | 90 | As is | 120 mg |
| P-3241655 | 90 | As is | 120 mg |
| P-893677666 | 95 | As is | by synthesis |
| P-890203491 | 90 | As a main component | in stock |
| P-579482779 | 90 | As a main component | 200 mg |
| P-524176721 | 95 | As a main component | unavailable |
| P-588250086 | N/A | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 233.262 |
| logP | 1.366 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 57.61 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.0778 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

