Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1104164893
Compound
Show structures
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 38 USD | 98 | 16 working days | Get Quote |
| 5 mg | 38 USD | 98 | 16 working days | Get Quote |
| 10 mg | 51 USD | 98 | 16 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-1104164893.sdf |
| SMILES | MCULE-1104164893.smiles |
| Standard InChI | MCULE-1104164893.inchi |
| InChIKey | MCULE-1104164893.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679499 | 98 | As is | in stock |
| P-875857702 | 98 | As is | in stock |
| P-892794016 | 95 | As is | by resynthesis (? - ? days) |
| P-903311961 | 98 | As is | 200 mg |
| P-904320427 | 90 | As is | 9.344 g |
| P-1270392442 | 98 | As is | in stock |
| P-872941742 | N/A | As is | in stock |
| P-892192724 | 98 | As is | 100 mg |
| P-1273262218 | 95 | As is | by resynthesis (? - ? days) |
| P-889779594 | 95 | As is | in stock |
| P-873435537 | 98 | As is | 104 mg |
| P-893263142 | 95 | As is | by synthesis |
| P-851334480 | 95 | As is | by synthesis |
| P-887191145 | 95 | As is | by synthesis |
| P-900264800 | 95 | As is | in stock |
| P-873245671 | 95 | As is | 5 mg |
| P-1279081230 | N/A | As is | by synthesis |
| P-1275598094 | 95 | As is | by synthesis |
| P-854717420 | 95 | As is | in stock |
| P-871076507 | 95 | As is | in stock |
| P-878646603 | 98 | As is | in stock |
| P-906837332 | 98 | As is | by synthesis |
| P-1279153325 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 383.448 |
| logP | 3.28948 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 160.38 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 100.6385 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 13 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
