MCULE-3287013666-0
- 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 | 20 USD | 98 | 22 working days | Get Quote |
| 5 mg | 20 USD | 98 | 22 working days | Get Quote |
| 10 mg | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-3287013666-0.sdf |
| SMILES | MCULE-3287013666-0.smiles |
| Standard InChI | MCULE-3287013666-0.inchi |
| InChIKey | MCULE-3287013666-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867667966 | 98 | As is | in stock |
| P-875835731 | N/A | As is | in stock |
| P-869189998 | 95 | As is | in stock |
| P-869359910 | 99 | As is | in stock |
| P-588247410 | 98 | As is | in stock |
| P-904970988 | 99 | As is | by synthesis |
| P-893237733 | 95 | As is | in stock |
| P-887188011 | 95 | As is | by synthesis |
| P-505493749 | 95 | As is | in stock |
| P-502532812 | 95 | As is | by synthesis |
| P-488555736 | 92 | As is | in stock |
| P-856006945 | 97 | As is | 100 mg |
| P-855953392 | 97 | As is | 5 g |
| P-896628575 | 95 | As is | by synthesis |
| P-854712728 | 95 | As is | in stock |
| P-474027572 | 95 | As is | in stock |
| P-888172181 | 98 | As is | by synthesis |
| P-12742124 | 90 | As is | 44 mg |
| P-500404488 | N/A | As is | by synthesis |
| P-500404645 | 98 | As is | by synthesis |
| P-885559674 | 95 | As is | by synthesis |
| P-869163176 | 95 | As is | by synthesis |
| P-892298923 | 95 | As is | 1000 mg |
| P-888658569 | 95 | As is | 1000 mg |
| P-611408476 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 293.747 |
| logP | 3.1243 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 57.01 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 76.282 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

