Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4037172667
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 | 37 USD | 95 | 7 working days | Get Quote |
| 5 mg | 130 USD | 98 | 20 working days | Get Quote |
| 10 mg | 195 USD | 98 | 16 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-4037172667.sdf |
| SMILES | MCULE-4037172667.smiles |
| Standard InChI | MCULE-4037172667.inchi |
| InChIKey | MCULE-4037172667.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679050 | N/A | As is | in stock |
| P-875856821 | 98 | As is | in stock |
| P-892790291 | 95 | As is | by resynthesis (? - ? days) |
| P-903303508 | 98 | As is | 30 mg |
| P-1264054554 | 99 | As is | in stock |
| P-893605982 | 90 | As is | 7.254 g |
| P-851945123 | N/A | As is | in stock |
| P-888826954 | 98 | As is | 10 mg |
| P-1273262663 | 95 | As is | by resynthesis (? - ? days) |
| P-1273297439 | 95 | As is | by resynthesis (? - ? days) |
| P-889779547 | 95 | As is | in stock |
| P-613860138 | 98 | As is | 17 mg |
| P-901507373 | 95 | As is | by synthesis |
| P-861379683 | 95 | As is | by synthesis |
| P-868658651 | 95 | As is | in stock |
| P-873245005 | 97 | As is | 1 mg |
| P-854721489 | 95 | As is | in stock |
| P-904641310 | 95 | As is | by synthesis |
| P-878645173 | 98 | As is | in stock |
| P-892289491 | 95 | As is | unavailable |
| P-869120536 | 95 | As is | 28 mg |
| P-888635323 | 95 | As is | 28 mg |
| P-906838298 | 97 | As is | by synthesis |
| P-1271665567 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 361.464 |
| logP | 4.1114 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 111.28 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 101.4671 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 23 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
