Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3490645029-0
Structure
Show compound
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 19 USD | 98 | 20 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-3490645029-0.sdf |
| SMILES | MCULE-3490645029-0.smiles |
| Standard InChI | MCULE-3490645029-0.inchi |
| InChIKey | MCULE-3490645029-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867612279 | 98 | As is | in stock |
| P-875772914 | 98 | As is | in stock |
| P-590360040 | 98 | As is | by resynthesis (? - ? days) |
| P-872724334 | 98 | As is | in stock |
| P-1264047637 | 99 | As is | in stock |
| P-893466060 | 90 | As is | 5.18 g |
| P-1270295846 | 98 | As is | in stock |
| P-606841009 | N/A | As is | in stock |
| P-489212360 | 97 | As is | in stock |
| P-865914861 | 98 | As is | 1000 mg |
| P-1273260880 | 95 | As is | by resynthesis (? - ? days) |
| P-1273281646 | 95 | As is | by resynthesis (? - ? days) |
| P-889568916 | 95 | As is | in stock |
| P-580725117 | 98 | As is | 2.017 g |
| P-851249274 | 95 | As is | by synthesis |
| P-860798550 | 98 | As is | in stock |
| P-861371611 | 95 | As is | by synthesis |
| P-579479043 | 95 | As is | in stock |
| P-868078770 | 95 | As is | in stock |
| P-502578140 | 95 | As is | by synthesis |
| P-855923647 | 97 | As is | 100 mg |
| P-1272597863 | 95 | As is | 200 mg |
| P-852523064 | 95 | As is | by synthesis |
| P-854718981 | 95 | As is | in stock |
| P-872670777 | 95 | As is | in stock |
| P-878640625 | 98 | As is | in stock |
| P-889881167 | 95 | As is | by synthesis |
| P-579712298 | 98 | As is | in stock |
| P-892291640 | 95 | As is | unavailable |
| P-869128243 | 95 | As is | 200 mg |
| P-888641038 | 95 | As is | 200 mg |
| P-906796335 | 98 | As is | by synthesis |
| P-855005238 | 90 | As is | in stock |
| P-1271702419 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 499.496 |
| logP | 5.3842 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 11 |
| PSA | 130.16 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 137.0303 |
| Atoms | 59 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 22 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| 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 |
