Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3914949169-1
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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.
-
MCULE-2720595773-0
- Component type: Main
-
MCULE-7398604282-0
- Component type: Main
-
MCULE-9630973695-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3914949169-1.sdf |
| SMILES | MCULE-3914949169-1.smiles |
| Standard InChI | MCULE-3914949169-1.inchi |
| InChIKey | MCULE-3914949169-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875687593 | 97 | As a main component | in stock |
| P-1275172786 | 98 | As a main component | in stock |
| P-1275146174 | 95 | As a main component | in stock |
| P-903008749 | 98 | As a main component | 500 g |
| P-1270302245 | 98 | As a main component | in stock |
| P-606929689 | N/A | As a main component | in stock |
| P-489169679 | 97 | As a main component | in stock |
| P-596935323 | 97 | As a main component | 12 kg |
| P-864155568 | 95 | As a main component | in stock |
| P-590599280 | 98 | As a main component | 132 g |
| P-505462604 | N/A | As a main component | by resynthesis (? - ? days) |
| P-505467361 | N/A | As a main component | by resynthesis (? - ? days) |
| P-1267091516 | 95 | As a main component | by synthesis |
| P-868610634 | 98 | As a main component | in stock |
| P-862091366 | 97 | As a main component | 8.20138 kg |
| P-905351288 | 97 | As a main component | 530 g |
| P-870663074 | 98 | As a main component | in stock |
| P-596567537 | 97 | As a main component | 5 g |
| P-1275018497 | 95 | As a main component | in stock |
| P-31248514 | 90 | As a main component | 2 g |
| P-580467714 | N/A | As a main component | by synthesis |
| P-1272602137 | N/A | As a main component | 1000 g |
| P-852599479 | N/A | As a main component | by synthesis |
| P-871075587 | 95 | As a main component | in stock |
| P-878647145 | 98 | As a main component | in stock |
| P-885537127 | 95 | As a main component | by synthesis |
| P-869126406 | 95 | As a main component | 3.238 g |
| P-892290941 | 95 | As a main component | 3.238 g |
| P-888639799 | 95 | As a main component | 3.238 g |
| P-906750664 | 98 | As a main component | by synthesis |
| P-611447771 | 90 | As a main component | in stock |
| P-480350410 | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 171.256 |
| logP | 1.877 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 8 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.0135 |
| Atoms | 31 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 19 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
