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SB-505124 500mg

CAT: 0628-A11157-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A11157-500Size:500 mg
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CAS Number
694433-59-5

Chemical Information

SB-505124

SB 505124 is a member of the class of imidazoles carrying tert-butyl, 1,3-benzodioxol-5-yl and 6-methylpyridin-2-yl substituents at positions 2, 4 and 5 respectively. It has a role as a TGFbeta receptor antagonist. It is a member of imidazoles, a member of methylpyridines and a benzodioxole.

CAS Number694433-59-5
PubChem CID9858940
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine
Molecular FormulaC20H21N3O2
Molecular Weight335.4
XLogP4.3
Topological Polar Surface Area60
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity466
SMILES
CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)
InChIKey
WGZOTBUYUFBEPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB-505124
CAS: 694433-59-5
CID: 9858940
Formula: C20H21N3O2
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass335.16337692
Monoisotopic Mass335.16337692
Topological Polar Surface Area60 Ų
Heavy Atom Count25
Formal Charge0
Complexity466
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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Alternative Products

CatalogName
FS58695-01SB 505124
T2462-01SB-505124
T21637-01SB-505124 hydrochloride
HY-13521A-01SB-505124 (hydrochloride)
527769SB-505124 HCl
HY-13521R-01SB-505124 (Standard)

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