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BAY-179

CAT: 0607-BA7995-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7995-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2764880-87-5
Form
A solid
Molecular Formula
C23H21N5OS
Molecular Weight
415.51
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

2-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
CAS Number2764880-87-5
PubChem CID162675169
IUPAC Name4-(1-benzofuran-2-yl)-2-[1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
Molecular FormulaC23H21N5OS
Molecular Weight415.5
XLogP4
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity588
SMILES
C1CN(CCC1C2=NC(=CS2)C3=CC4=CC=CC=C4O3)CC5=NC6=C(N5)C=CC=N6
InChI
InChI=1S/C23H21N5OS/c1-2-6-19-16(4-1)12-20(29-19)18-14-30-23(26-18)15-7-10-28(11-8-15)13-21-25-17-5-3-9-24-22(17)27-21/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,24,25,27)
InChIKey
JOCPQSJABURDDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
CAS: 2764880-87-5
CID: 162675169
Formula: C23H21N5OS
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass415.14668148
Monoisotopic Mass415.14668148
Topological Polar Surface Area99.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity588
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

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