Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4003740082
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 | 6 USD | 97 | 22 working days | Get Quote |
| 5 mg | 6 USD | 97 | 22 working days | Get Quote |
| 10 mg | 6 USD | 97 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-4003740082.sdf |
| SMILES | MCULE-4003740082.smiles |
| Standard InChI | MCULE-4003740082.inchi |
| InChIKey | MCULE-4003740082.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867579368 | 97 | As is | in stock |
| P-875737741 | N/A | As is | in stock |
| P-881662554 | 95 | As is | in stock |
| P-590394323 | 98 | As is | in stock |
| P-903067741 | 97 | As is | 1000 g |
| P-905480902 | 96 | As is | 1000 g |
| P-901168052 | 98 | As is | in stock |
| P-580238051 | 95 | As is | by synthesis |
| P-606856018 | N/A | As is | in stock |
| P-489111270 | 97 | As is | in stock |
| P-596951698 | 97 | As is | 1000 g |
| P-494326854 | 95 | As is | by resynthesis (? - ? days) |
| P-864107099 | 98 | As is | in stock |
| P-580732201 | 97 | As is | 242 g |
| P-851270018 | 95 | As is | by synthesis |
| P-868560548 | 98 | As is | in stock |
| P-580417024 | 95 | As is | by resynthesis (? - ? days) |
| P-905330298 | 98 | As is | 80 g |
| P-861934313 | 98 | As is | 622.718 g |
| P-502476069 | 95 | As is | by synthesis |
| P-524182453 | 97 | As is | 100 g |
| P-855995756 | 97 | As is | 100 mg |
| P-579615034 | 98 | As is | 25 g |
| P-611662941 | 98 | As is | 475 g |
| P-852378326 | N/A | As is | in stock |
| P-854724347 | 95 | As is | in stock |
| P-500393248 | 97 | As is | by synthesis |
| P-885517017 | 95 | As is | by synthesis |
| P-873284079 | N/A | As is | in stock |
| P-896079496 | N/A | As is | 2.119 g |
| P-596747198 | 97 | As is | 682 g |
| P-502370672 | 90 | As is | in stock |
| P-611371816 | 90 | As is | in stock |
| P-580448754 | 97 | As is | in stock |
| P-615394426 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.070 |
| logP | 2.4663 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.4938 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
