MCULE-4598810496-0
- 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 | 14 USD | 95 | 8 working days | Get Quote |
| 5 mg | 14 USD | 95 | 8 working days | Get Quote |
| 10 mg | 14 USD | 95 | 8 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-6373382965-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4598810496-0.sdf |
| SMILES | MCULE-4598810496-0.smiles |
| Standard InChI | MCULE-4598810496-0.inchi |
| InChIKey | MCULE-4598810496-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875704081 | N/A | As is | in stock |
| P-588248072 | 98 | As is | in stock |
| P-903028900 | 95 | As is | 250 g |
| P-589657778 | 95 | As is | by resynthesis (? - ? days) |
| P-481174945 | 95 | As is | 39.5 g |
| P-901423129 | 95 | As is | by synthesis |
| P-868577801 | 98 | As is | in stock |
| P-580291794 | N/A | As is | by resynthesis (? - ? days) |
| P-890213528 | 90 | As is | in stock |
| P-590335943 | 90 | As is | 15 g |
| P-854062847 | 90 | As is | in stock |
| P-454415208 | 90 | As is | 9.81 g |
| P-18815978 | 90 | As is | 9.81 g |
| P-579660435 | 95 | As is | by resynthesis (? - ? days) |
| P-31273563 | 90 | As is | 10 g |
| P-856039801 | 90 | As is | 10 g |
| P-613282310 | 95 | As is | by synthesis |
| P-580478649 | 95 | As is | by synthesis |
| P-852483390 | N/A | As is | in stock |
| P-492279885 | 95 | As is | 1000 mg |
| P-12680653 | 90 | As is | 1000 mg |
| P-868099517 | 92 | As is | in stock |
| P-500372651 | 98 | As is | by synthesis |
| P-859991745 | 95 | As is | by synthesis |
| P-519886458 | 90 | As is | in stock |
| P-502329682 | 90 | As is | in stock |
| P-611547316 | 90 | As is | in stock |
| P-893671743 | 95 | As is | by synthesis |
| P-886600259 | 95 | As a main component | in stock |
| P-901195190 | N/A | As a main component | by synthesis |
| P-869200638 | 95 | As a main component | in stock |
| P-903134260 | 95 | As a main component | 10 g |
| P-901662329 | N/A | As a main component | in stock |
| P-905471866 | 95 | As a main component | in stock |
| P-901921510 | 95 | As a main component | 49.9 g |
| P-893247264 | 95 | As a main component | by synthesis |
| P-861386991 | 95 | As a main component | by synthesis |
| P-454417458 | 97 | As a main component | 2 g |
| P-454408341 | 97 | As a main component | 412 mg |
| P-454353070 | 97 | As a main component | 2 g |
| P-454332599 | 97 | As a main component | 412 mg |
| P-895498506 | 95 | As a main component | by synthesis |
| P-611444075 | 90 | As a main component | in stock |
| P-893997131 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 113.201 |
| logP | 1.8673 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 40.3657 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 15 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |

