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MRT-14

CAT: 0931-T9531-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T9531-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1263131-83-4
Target
Smo
Related Pathways
Stem Cells
Purity
0.9954
Bioactivity
MRT-14 is a potent Smo antagonist and can be used in several types of cancers linked to abnormal Hh signaling studies.
Smiles
COc1cc(cc(OC)c1OC)C(=O)NC(=N)Nc1cccc(NC(=O)c2ccccc2)c1
Molecular Formula
C24H24N4O5
Molecular Weight
448.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(N-(3-Benzamidophenyl)carbamimidoyl)-3,4,5-trimethoxybenzamide
CAS Number1263131-83-4
PubChem CID136210502
IUPAC NameN-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
Molecular FormulaC24H24N4O5
Molecular Weight448.5
XLogP3.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity668
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3)N
InChI
InChI=1S/C24H24N4O5/c1-31-19-12-16(13-20(32-2)21(19)33-3)23(30)28-24(25)27-18-11-7-10-17(14-18)26-22(29)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,26,29)(H3,25,27,28,30)
InChIKey
CIWMWTKJZQOXBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(N-(3-Benzamidophenyl)carbamimidoyl)-3,4,5-trimethoxybenzamide
CAS: 1263131-83-4
CID: 136210502
Formula: C24H24N4O5
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass448.17466988
Monoisotopic Mass448.17466988
Topological Polar Surface Area124 Ų
Heavy Atom Count33
Formal Charge0
Complexity668
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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