MCULE-7753794014
- 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 | 32 USD | 95 | 12 working days | Get Quote |
| 5 mg | 32 USD | 95 | 12 working days | Get Quote |
| 10 mg | 32 USD | 95 | 12 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-7753794014.sdf |
| SMILES | MCULE-7753794014.smiles |
| Standard InChI | MCULE-7753794014.inchi |
| InChIKey | MCULE-7753794014.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852066645 | 95 | As is | by synthesis |
| P-869320846 | 95 | As is | in stock |
| P-904604646 | 95 | As is | in stock |
| P-893508251 | 90 | As is | 7.397 g |
| P-851402611 | N/A | As is | by synthesis |
| P-851687083 | N/A | As is | by synthesis |
| P-899957778 | N/A | As is | by synthesis |
| P-869394839 | 95 | As is | by synthesis |
| P-517097200 | 90 | As is | in stock |
| P-502468451 | 95 | As is | by synthesis |
| P-502761497 | 90 | As is | in stock |
| P-18805639 | 95 | As is | 5.64 g |
| P-454382650 | 95 | As is | 5.64 g |
| P-596573823 | 95 | As is | 5 g |
| P-615644153 | 95 | As is | in stock |
| P-131610414 | 90 | As is | 1.785 g |
| P-14054875 | 90 | As is | 1.785 g |
| P-12331478 | 90 | As is | 12.394 g |
| P-492273626 | 98 | As is | 12.394 g |
| P-18904584 | 90 | As is | in stock |
| P-23407990 | 90 | As is | 15 mg |
| P-502338128 | 90 | As is | in stock |
| P-22444942 | 90 | As is | 350 mg |
| P-611591712 | 90 | As is | in stock |
| P-855247478 | 90 | As is | in stock |
| P-2584897 | 90 | As is | 103 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 197.231 |
| logP | 1.467 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 66.4 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 52.3695 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

