Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3001345213
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 | 6 USD | 97 | 22 working days | Get Quote |
| 5 mg | 6 USD | 97 | 22 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-3001345213.sdf |
| SMILES | MCULE-3001345213.smiles |
| Standard InChI | MCULE-3001345213.inchi |
| InChIKey | MCULE-3001345213.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867582769 | 97 | As is | in stock |
| P-875741464 | N/A | As is | in stock |
| P-869182020 | 95 | As is | in stock |
| P-505351728 | 97 | As is | in stock |
| P-903071781 | 97 | As is | 1.3 kg |
| P-905483099 | 97 | As is | 10 g |
| P-893336553 | 95 | As is | by synthesis |
| P-606931185 | N/A | As is | in stock |
| P-489192263 | 97 | As is | in stock |
| P-489206938 | 97 | As is | in stock |
| P-596953160 | 97 | As is | 700 g |
| P-494335340 | 95 | As is | by resynthesis (? - ? days) |
| P-595590654 | 90 | As is | 1000 mg |
| P-864123107 | 95 | As is | in stock |
| P-481167372 | 95 | As is | 45 g |
| P-580734737 | 97 | As is | 631 g |
| P-893258717 | 95 | As is | by synthesis |
| P-492247054 | 95 | As is | in stock |
| P-454618609 | 90 | As is | in stock |
| P-505603097 | 97 | As is | by synthesis |
| P-436452258 | 95 | As is | 25 g |
| P-517166244 | 90 | As is | in stock |
| P-851300065 | 95 | As is | by synthesis |
| P-868594262 | 98 | As is | in stock |
| P-580758788 | 90 | As is | in stock |
| P-580426040 | 95 | As is | by resynthesis (? - ? days) |
| P-905333195 | 99 | As is | 30 g |
| P-861966573 | 99 | As is | 1.18854 kg |
| P-863616054 | 98 | As is | by synthesis |
| P-870657025 | N/A | As is | in stock |
| P-890204419 | 90 | As is | in stock |
| P-579484016 | 90 | As is | 12 mg |
| P-505521126 | 95 | As is | in stock |
| P-454361356 | 90 | As is | 100 mg |
| P-1263139814 | 95 | As is | by synthesis |
| P-580512120 | 98 | As is | 50 g |
| P-852396146 | N/A | As is | in stock |
| P-519760077 | 97 | As is | 17.8 g |
| P-854737676 | 95 | As is | in stock |
| P-888845094 | N/A | As is | by synthesis |
| P-500372729 | 98 | As is | by synthesis |
| P-859956202 | 95 | As is | by synthesis |
| P-19550282 | 90 | As is | in stock |
| P-596779751 | 97 | As is | 172 g |
| P-502360357 | 90 | As is | in stock |
| P-23151033 | 94 | As is | by resynthesis (? - ? days) |
| P-906779434 | 98 | As is | by synthesis |
| P-611429036 | 90 | As is | in stock |
| P-893987195 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 127.167 |
| logP | 1.264 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 58.2 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 32.4675 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| 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 |
