Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4039991636
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 | 34 USD | 98 | 22 working days | Get Quote |
| 5 mg | 58 USD | 98 | 16 working days | Get Quote |
| 10 mg | 95 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-4039991636.sdf |
| SMILES | MCULE-4039991636.smiles |
| Standard InChI | MCULE-4039991636.inchi |
| InChIKey | MCULE-4039991636.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634967 | 98 | As is | in stock |
| P-875799728 | 98 | As is | in stock |
| P-1275171600 | 98 | As is | in stock |
| P-1264049994 | 98 | As is | in stock |
| P-893521168 | 90 | As is | 1.911 g |
| P-1270350347 | 98 | As is | in stock |
| P-888731695 | N/A | As is | in stock |
| P-489136268 | 97 | As is | in stock |
| P-619201721 | 98 | As is | 1000 mg |
| P-1273450328 | 95 | As is | by resynthesis (? - ? days) |
| P-889772758 | 99 | As is | in stock |
| P-500415781 | 95 | As is | by synthesis |
| P-893231712 | 95 | As is | in stock |
| P-452649381 | 98 | As is | in stock |
| P-1272277256 | 95 | As is | by synthesis |
| P-861341421 | 95 | As is | by synthesis |
| P-579477023 | 95 | As is | in stock |
| P-901409449 | 98 | As is | 300 mg |
| P-855913756 | 97 | As is | 5 mg |
| P-896630236 | 95 | As is | by synthesis |
| P-854691401 | 95 | As is | in stock |
| P-872674460 | 95 | As is | in stock |
| P-608279871 | 98 | As is | in stock |
| P-869177945 | 95 | As is | in stock |
| P-892296394 | 95 | As is | unavailable |
| P-580051735 | 95 | As is | 49 mg |
| P-892338775 | 95 | As is | 49 mg |
| P-611526229 | 90 | As is | in stock |
| P-611365985 | 90 | As is | in stock |
| P-1271678331 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 302.235 |
| logP | 1.988 |
| H-bond acceptors | 7 |
| H-bond donors | 5 |
| Rotatable bonds | 1 |
| PSA | 131.36 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 78.035 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 10 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
