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GNLPT-IN-1

CAT: 0931-T70320-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70320-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1639933-79-1
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
GNLPT-IN-1 is an inhibitor of gram-negative lipoprotein trafficking.
Smiles
C(C)(C)(C)C1N=C(C(=N1)C=2C=CN=CC2)C=3C=C4C(=CC3)OCCO4
Molecular Formula
C20H21N3O2
Molecular Weight
335.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(2-(tert-Butyl)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2H-imidazol-4-yl)pyridine
CAS Number1639933-79-1
PubChem CID139269740
IUPAC Name4-[2-tert-butyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-imidazol-4-yl]pyridine
Molecular FormulaC20H21N3O2
Molecular Weight335.4
XLogP3.2
Topological Polar Surface Area56.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity546
SMILES
CC(C)(C)C1N=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C4=CC=NC=C4
InChI
InChI=1S/C20H21N3O2/c1-20(2,3)19-22-17(13-6-8-21-9-7-13)18(23-19)14-4-5-15-16(12-14)25-11-10-24-15/h4-9,12,19H,10-11H2,1-3H3
InChIKey
PHMKDXHUEUNUOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-(tert-Butyl)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2H-imidazol-4-yl)pyridine
CAS: 1639933-79-1
CID: 139269740
Formula: C20H21N3O2
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass335.16337692
Monoisotopic Mass335.16337692
Topological Polar Surface Area56.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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