Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4835644401
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 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-4835644401.sdf |
| SMILES | MCULE-4835644401.smiles |
| Standard InChI | MCULE-4835644401.inchi |
| InChIKey | MCULE-4835644401.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867539968 | 98 | As is | in stock |
| P-875695872 | 98 | As is | in stock |
| P-597028398 | 98 | As is | unavailable |
| P-1275180320 | 98 | As is | in stock |
| P-1275151749 | 95 | As is | in stock |
| P-903018913 | 98 | As is | 25 g |
| P-901166790 | 98 | As is | in stock |
| P-1270312302 | 98 | As is | in stock |
| P-580198313 | 95 | As is | 850 mg |
| P-617061504 | 98 | As is | in stock |
| P-606941120 | N/A | As is | in stock |
| P-489124518 | 97 | As is | in stock |
| P-596926161 | 98 | As is | 25 kg |
| P-494345027 | 95 | As is | 149.991 g |
| P-864087959 | 97 | As is | in stock |
| P-580723466 | 98 | As is | 3.306 kg |
| P-492248725 | 95 | As is | in stock |
| P-851247961 | 95 | As is | by synthesis |
| P-868556895 | 98 | As is | in stock |
| P-580421821 | 95 | As is | by resynthesis (? - ? days) |
| P-905329167 | 97 | As is | 985 g |
| P-861926683 | 97 | As is | 2.332 kg |
| P-870656411 | 98 | As is | in stock |
| P-505515234 | 95 | As is | in stock |
| P-454401572 | 95 | As is | 66.298 g |
| P-454319284 | 95 | As is | 66.298 g |
| P-579611404 | 98 | As is | in stock |
| P-666810098 | 95 | As is | by synthesis |
| P-580514485 | 97 | As is | in stock |
| P-1272561782 | 98 | As is | 2 kg |
| P-852377395 | 98 | As is | by synthesis |
| P-617696052 | 90 | As is | 270 mg |
| P-578152589 | 90 | As is | 270 mg |
| P-888861283 | N/A | As is | in stock |
| P-500382661 | 98 | As is | by synthesis |
| P-885551572 | 95 | As is | by synthesis |
| P-498676021 | 97 | As is | 1.7601 kg |
| P-502360590 | 90 | As is | in stock |
| P-903669287 | 94 | As is | by resynthesis (? - ? days) |
| P-906758977 | 98 | As is | by synthesis |
| P-855012326 | 90 | As is | in stock |
| P-575300062 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 146.941 |
| logP | -0.76192 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 64.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 40.9826 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| 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 |
