Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3769488677
Compound
Show structure
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 | 13 USD | 96 | 19 working days | Get Quote |
| 5 mg | 13 USD | 96 | 19 working days | Get Quote |
| 10 mg | 13 USD | 96 | 19 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-7187934312
- Component type: Main
-
MCULE-6690561410
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3769488677.sdf |
| SMILES | MCULE-3769488677.smiles |
| Standard InChI | MCULE-3769488677.inchi |
| InChIKey | MCULE-3769488677.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869358394 | 95 | As is | by resynthesis (? - ? days) |
| P-580202303 | 95 | As is | 99 g |
| P-851879489 | N/A | As is | by synthesis |
| P-591161307 | 95 | As is | by synthesis |
| P-895419574 | 95 | As is | by synthesis |
| P-856353156 | 95 | As is | by synthesis |
| P-502330557 | 90 | As is | in stock |
| P-22521436 | 90 | As is | 70 mg |
| P-611452209 | 90 | As is | in stock |
| P-480390155 | 95 | As is | in stock |
| P-867639163 | 96 | As a main component | in stock |
| P-875804902 | 96 | As a main component | in stock |
| P-869306567 | 95 | As a main component | by resynthesis (? - ? days) |
| P-903162038 | 96 | As a main component | 15 g |
| P-893549199 | 90 | As a main component | 21.761 g |
| P-1270400821 | 95 | As a main component | in stock |
| P-851798999 | N/A | As a main component | by synthesis |
| P-865921907 | 96 | As a main component | 5 g |
| P-1273462795 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1273458771 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864201646 | 95 | As a main component | in stock |
| P-591109848 | 95 | As a main component | by synthesis |
| P-617651652 | 90 | As a main component | in stock |
| P-617323718 | 90 | As a main component | in stock |
| P-1266987460 | 95 | As a main component | in stock |
| P-580302521 | 95 | As a main component | by resynthesis (? - ? days) |
| P-862070050 | 96 | As a main component | 9.587 g |
| P-855914704 | 95 | As a main component | 100 mg |
| P-31250806 | 90 | As a main component | 2 g |
| P-852533355 | N/A | As a main component | by synthesis |
| P-428001756 | 95 | As a main component | in stock |
| P-865621284 | 95 | As a main component | in stock |
| P-1263958768 | 90 | As a main component | in stock |
| P-906907078 | 95 | As a main component | in stock |
| P-615458354 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.273 |
| logP | 2.3974 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 49.49 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 59.9594 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
