Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2745235179-0
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 | 19 USD | 98 | 20 working days | Get Quote |
| 5 mg | 44 USD | 98 | 20 working days | Get Quote |
| 10 mg | 55 USD | 98 | 20 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.
-
MCULE-9604594455-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2745235179-0.sdf |
| SMILES | MCULE-2745235179-0.smiles |
| Standard InChI | MCULE-2745235179-0.inchi |
| InChIKey | MCULE-2745235179-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867534219 | 95 | As is | in stock |
| P-875688096 | N/A | As is | in stock |
| P-869288142 | 95 | As is | in stock |
| P-903008942 | 99 | As is | 5 g |
| P-893502340 | 90 | As is | 29.698 g |
| P-889752283 | N/A | As is | in stock |
| P-873288636 | 98 | As is | 5 g |
| P-889778305 | 95 | As is | in stock |
| P-611004590 | 99 | As is | 1.1 g |
| P-901427460 | 95 | As is | by synthesis |
| P-851315077 | 95 | As is | by synthesis |
| P-861285981 | 98 | As is | in stock |
| P-887182262 | 95 | As is | by synthesis |
| P-579482257 | 95 | As is | in stock |
| P-854621172 | 98 | As is | in stock |
| P-868078409 | 95 | As is | in stock |
| P-855916048 | 97 | As is | 50 mg |
| P-896628133 | 95 | As is | by synthesis |
| P-854715444 | 95 | As is | in stock |
| P-584619170 | 95 | As is | in stock |
| P-608269603 | 98 | As is | in stock |
| P-617403953 | N/A | As is | in stock |
| P-904084813 | 98 | As is | 200 mg |
| P-594274088 | 95 | As is | by synthesis |
| P-892295689 | 95 | As is | unavailable |
| P-888656665 | 95 | As is | 58 mg |
| P-855344742 | 90 | As is | in stock |
| P-893654738 | 95 | As is | by synthesis |
| P-901313824 | N/A | As a main component | in stock |
| P-904321408 | 90 | As a main component | 2.34 g |
| P-905012060 | N/A | As a main component | by synthesis |
| P-900253578 | 95 | As a main component | unavailable |
| P-905570736 | 98 | As a main component | by synthesis |
| P-901018193 | 95 | As a main component | in stock |
| P-875883193 | 95 | As a main component | in stock |
| P-892260061 | 95 | As a main component | by synthesis |
| P-904251643 | 95 | As a main component | 502 mg |
| P-892341954 | 95 | As a main component | 502 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 353.399 |
| logP | 4.1562 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 164.82 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 89.4232 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 19 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |
