Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4835244134
Compound
Show structures
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 | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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.
-
1
MCULE-1938576029
- Component type: Main
-
1
MCULE-4684386765
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4835244134.sdf |
| SMILES | MCULE-4835244134.smiles |
| Standard InChI | MCULE-4835244134.inchi |
| InChIKey | MCULE-4835244134.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893516360 | 90 | As is | 3 g |
| P-851317104 | 95 | As is | by synthesis |
| P-886952738 | 95 | As is | by synthesis |
| P-867660477 | 98 | Main component | in stock |
| P-875829097 | N/A | Main component | in stock |
| P-535626762 | 95 | Main component | in stock |
| P-505352825 | 98 | Main component | in stock |
| P-505389195 | 98 | Main component | in stock |
| P-903203559 | 98 | Main component | 7.5 kg |
| P-1264050929 | 95 | Main component | in stock |
| P-606839133 | N/A | Main component | in stock |
| P-596972270 | 99 | Main component | 4 kg |
| P-872725719 | 98 | Main component | in stock |
| P-579790719 | 95 | Main component | by resynthesis (? - ? days) |
| P-864193827 | 95 | Main component | in stock |
| P-580728416 | 98 | Main component | 3.275 kg |
| P-900267979 | N/A | Main component | by resynthesis (? - ? days) |
| P-893229862 | 95 | Main component | in stock |
| P-851268561 | 95 | Main component | by synthesis |
| P-868577740 | 98 | Main component | in stock |
| P-608496419 | 95 | Main component | in stock |
| P-905347079 | 98 | Main component | 700 g |
| P-862033016 | 98 | Main component | 9.06428 kg |
| P-608220345 | 98 | Main component | in stock |
| P-505531297 | 95 | Main component | in stock |
| P-524441848 | 97 | Main component | 460 mg |
| P-852468125 | N/A | Main component | in stock |
| P-854719126 | 95 | Main component | in stock |
| P-895185000 | 95 | Main component | in stock |
| P-584618718 | 95 | Main component | in stock |
| P-608275284 | 98 | Main component | in stock |
| P-885542254 | 95 | Main component | by synthesis |
| P-579711880 | N/A | Main component | in stock |
| P-869117541 | 95 | Main component | by synthesis |
| P-892288581 | 95 | Main component | 1.042 g |
| P-888632729 | 95 | Main component | 1.042 g |
| P-873222356 | 90 | Main component | in stock |
| P-611407917 | 90 | Main component | in stock |
| P-855009432 | 90 | Main component | in stock |
| P-893994658 | 95 | Main component | in stock |
| P-893516364 | 90 | Main component as a main component | 3 g |
| P-851317101 | 95 | Main component as a main component | by synthesis |
| P-886952737 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 405.869 |
| logP | 2.6275 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 92.27 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 110.0994 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 24 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
