Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4116597090
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-4116597090.sdf |
| SMILES | MCULE-4116597090.smiles |
| Standard InChI | MCULE-4116597090.inchi |
| InChIKey | MCULE-4116597090.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875771452 | N/A | As is | in stock |
| P-590375841 | 95 | As is | in stock |
| P-903112295 | 95 | As is | 5 g |
| P-851605046 | N/A | As is | by synthesis |
| P-900245529 | 95 | As is | unavailable |
| P-596366412 | 90 | As is | 1000 mg |
| P-596512636 | 90 | As is | 1000 mg |
| P-901349951 | 95 | As is | by synthesis |
| P-590952498 | 95 | As is | by synthesis |
| P-6222018 | 90 | As is | 10 mg |
| P-454756336 | 90 | As is | in stock |
| P-454702048 | 90 | As is | in stock |
| P-607694793 | 90 | As is | 15 mg |
| P-436451081 | 95 | As is | 5 g |
| P-19867505 | 90 | As is | in stock |
| P-851328818 | 95 | As is | by synthesis |
| P-868647930 | 98 | As is | in stock |
| P-34742431 | 90 | As is | by synthesis |
| P-580776055 | 90 | As is | by resynthesis (? - ? days) |
| P-580765470 | 90 | As is | in stock |
| P-580329492 | 95 | As is | by resynthesis (? - ? days) |
| P-579523588 | 90 | As is | 1 mg |
| P-890212387 | 90 | As is | in stock |
| P-12641606 | 95 | As is | 300 mg |
| P-524175806 | 95 | As is | unavailable |
| P-580502757 | 95 | As is | by synthesis |
| P-852396072 | N/A | As is | in stock |
| P-854833087 | 95 | As is | by synthesis |
| P-674647632 | 92 | As is | 300 mg |
| P-596796637 | 95 | As is | by synthesis |
| P-18953164 | 90 | As is | in stock |
| P-33465560 | 90 | As is | in stock |
| P-502342294 | 90 | As is | in stock |
| P-888439738 | 94 | As is | by resynthesis (? - ? days) |
| P-906875473 | 97 | As is | by synthesis |
| P-855227485 | 90 | As is | in stock |
| P-539822 | 90 | As is | 36.329 g |
| P-3215151 | 90 | As is | 36.329 g |
| P-886962613 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 264.278 |
| logP | 3.2375 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 75.9593 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
