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SJ000063181

CAT: 0931-T60644-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T60644-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
945189-68-4
Target
TGF-beta/Smad
Related Pathways
Stem Cells
Purity
0.9994
Bioactivity
SJ000063181 is a potent activator of BMP signaling, exhibiting an EC50 of ≤1 μM. It serves as a valuable chemical probe for BMP signaling analysis, owing to its ability to penetrate zebrafish embryos.
Smiles
CC(C)Cc1cc(no1)C(=O)Nc1ccc(F)c(Cl)c1
Molecular Formula
C14H14ClFN2O2
Molecular Weight
296.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-chloro-4-fluorophenyl)-5-isobutylisoxazole-3-carboxamide
CAS Number945189-68-4
PubChem CID17253337
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.72
XLogP3.9
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity343
SMILES
CC(C)CC1=CC(=NO1)C(=O)NC2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C14H14ClFN2O2/c1-8(2)5-10-7-13(18-20-10)14(19)17-9-3-4-12(16)11(15)6-9/h3-4,6-8H,5H2,1-2H3,(H,17,19)
InChIKey
PBZNVOPQXYXTPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-chloro-4-fluorophenyl)-5-isobutylisoxazole-3-carboxamide
CAS: 945189-68-4
CID: 17253337
Formula: C14H14ClFN2O2
MW: 296.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.72
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass296.0727835
Monoisotopic Mass296.0727835
Topological Polar Surface Area55.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity343
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

Alternative Products

CatalogName
GTR19187823-01SJ000063181

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