MCULE-3846662405-0
- 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 | 5 USD | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 14 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-3846662405-0.sdf |
| SMILES | MCULE-3846662405-0.smiles |
| Standard InChI | MCULE-3846662405-0.inchi |
| InChIKey | MCULE-3846662405-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867563248 | 98 | As is | in stock |
| P-875722624 | 98 | As is | in stock |
| P-1275152503 | 95 | As is | in stock |
| P-1275177725 | 98 | As is | in stock |
| P-903051689 | 99 | As is | 6 kg |
| P-905478984 | 98 | As is | 10 g |
| P-580198240 | 95 | As is | 10 g |
| P-606857139 | N/A | As is | in stock |
| P-489170726 | 97 | As is | in stock |
| P-596928093 | 99 | As is | 10 kg |
| P-494346228 | 95 | As is | 324.8 g |
| P-864086104 | 97 | As is | in stock |
| P-580721103 | 98 | As is | 2.31 kg |
| P-893222240 | 95 | As is | in stock |
| P-504711982 | 85 | As is | 5 mg |
| P-851297907 | 95 | As is | by synthesis |
| P-868644408 | 98 | As is | in stock |
| P-34456671 | 90 | As is | by synthesis |
| P-580421097 | 95 | As is | by resynthesis (? - ? days) |
| P-861958354 | 97 | As is | 16.1152 kg |
| P-905332199 | 97 | As is | 1.92 kg |
| P-870656252 | N/A | As is | in stock |
| P-890219070 | 90 | As is | in stock |
| P-590341526 | 90 | As is | 19 g |
| P-505492489 | 95 | As is | in stock |
| P-492242384 | 95 | As is | in stock |
| P-488549509 | 90 | As is | in stock |
| P-454406998 | 95 | As is | 25.493 g |
| P-454329097 | 95 | As is | 43 mg |
| P-856041639 | 90 | As is | unavailable |
| P-31250671 | 90 | As is | unavailable |
| P-613282225 | 95 | As is | by synthesis |
| P-580507566 | N/A | As is | by synthesis |
| P-1272581618 | 95 | As is | 2 kg |
| P-852444321 | 95 | As is | by synthesis |
| P-12415991 | 90 | As is | 40 mg |
| P-888861114 | N/A | As is | in stock |
| P-454371683 | 92 | As is | in stock |
| P-500373785 | 98 | As is | by synthesis |
| P-885517172 | 95 | As is | by synthesis |
| P-23839717 | 90 | As is | in stock |
| P-1275288022 | 95 | As is | in stock |
| P-896073314 | N/A | As is | 298 mg |
| P-498661345 | 97 | As is | 10.835 kg |
| P-22635416 | 90 | As is | in stock |
| P-502366837 | 90 | As is | in stock |
| P-596709061 | 90 | As is | 2 mg |
| P-906774243 | 98 | As is | by synthesis |
| P-611368945 | 90 | As is | in stock |
| P-3242038 | 90 | As is | 1.407 g |
| P-565983 | 90 | As is | 1.407 g |
| P-1271645577 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 123.152 |
| logP | 1.3423 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 46.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 36.9742 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 9 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

