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PBD-150

CAT: 1410-M21163-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M21163-07Size:100 mg
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Description
PBD-150 is an inhibitor of human glutaminyl cyclase (hQC) Y115E-Y117E variant (ki : 490 nM) .
CAS Number
790663-33-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
320.4
Molecular Formula
C15H20N4O2S
Notes
Research use only, not for human use.
Receptor
Glutaminyl cyclase (hQC) Y115E-Y117E

Chemical Information

1-(3,4-Dimethoxyphenyl)-3-[3-(1h-Imidazol-1-Yl)propyl]thiourea
CAS Number790663-33-1
PubChem CID6539196
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
Molecular FormulaC15H20N4O2S
Molecular Weight320.4
XLogP1.5
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity346
SMILES
COC1=C(C=C(C=C1)NC(=S)NCCCN2C=CN=C2)OC
InChI
InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)
InChIKey
FZQXMGLQANXZRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,4-Dimethoxyphenyl)-3-[3-(1h-Imidazol-1-Yl)propyl]thiourea
CAS: 790663-33-1
CID: 6539196
Formula: C15H20N4O2S
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass320.13069707
Monoisotopic Mass320.13069707
Topological Polar Surface Area92.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes