MCULE-1957403848
- 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 | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 95 | 10 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-8047639478
- Component type: Main
-
MCULE-4310369716
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1957403848.sdf |
| SMILES | MCULE-1957403848.smiles |
| Standard InChI | MCULE-1957403848.inchi |
| InChIKey | MCULE-1957403848.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867626976 | 95 | As is | in stock |
| P-875789465 | N/A | As is | in stock |
| P-904525093 | 95 | As is | in stock |
| P-903141195 | 97 | As is | 25 g |
| P-893541976 | 90 | As is | 75 g |
| P-851388433 | N/A | As is | by synthesis |
| P-489218369 | 97 | As is | in stock |
| P-895099617 | 97 | As is | 25 g |
| P-864252808 | 95 | As is | by synthesis |
| P-590716616 | 85 | As is | by synthesis |
| P-492266305 | 95 | As is | in stock |
| P-872448414 | 90 | As is | 50 mg |
| P-454630687 | 90 | As is | in stock |
| P-449699867 | 90 | As is | 78.995 g |
| P-1109 | 90 | As is | 76.51 g |
| P-163913 | 90 | As is | 1.164 g |
| P-436452194 | 95 | As is | 25 g |
| P-578527129 | 90 | As is | in stock |
| P-868592092 | 95 | As is | in stock |
| P-34742442 | 90 | As is | by synthesis |
| P-580425592 | 95 | As is | by resynthesis (? - ? days) |
| P-502448805 | 95 | As is | by synthesis |
| P-503167829 | 90 | As is | by synthesis |
| P-13404380 | 95 | As is | 300 mg |
| P-856004661 | 95 | As is | 27.602 g |
| P-855908814 | 95 | As is | 27.602 g |
| P-852406345 | N/A | As is | in stock |
| P-854908969 | 95 | As is | by synthesis |
| P-864658185 | 92 | As is | 300 mg |
| P-885520185 | 95 | As is | by synthesis |
| P-519835131 | 90 | As is | in stock |
| P-502326736 | 90 | As is | in stock |
| P-22470749 | 90 | As is | 180 mg |
| P-611459415 | 90 | As is | in stock |
| P-1417228 | 90 | As is | 110 mg |
| P-886940818 | 95 | As is | by synthesis |
| P-4906905 | 85 | As a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 209.241 |
| logP | 2.2601 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 72.55 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 56.8002 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 15 |
| 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 |

