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ICRT3

CAT: 0498-bs-6932C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6932C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
901751-47-1
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
CC1OC(=NC=1CSCC(=O)NCCC1C=CC=CC=1)C1C=CC(CC)=CC=1
Molecular Formula
C23 H26 N2 O2 S
Molecular Weight
394.53
InChI
InChI=1S/C23H26N2O2S/c1-3-18-9-11-20 (12-10-18) 23-25-21 (17 (2) 27-23) 15-28-16-22 (26) 24-14-13-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3, (H,24,26)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide

ICRT3 is an organic molecular entity. It has a role as a Wnt signalling inhibitor.

CAS Number901751-47-1
PubChem CID6622273
IUPAC Name2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
Molecular FormulaC23H26N2O2S
Molecular Weight394.5
XLogP5
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity462
SMILES
CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CSCC(=O)NCCC3=CC=CC=C3
InChI
InChI=1S/C23H26N2O2S/c1-3-18-9-11-20(12-10-18)23-25-21(17(2)27-23)15-28-16-22(26)24-14-13-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3,(H,24,26)
InChIKey
QTDYVSIBWGVBKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CAS: 901751-47-1
CID: 6622273
Formula: C23H26N2O2S
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass394.17149925
Monoisotopic Mass394.17149925
Topological Polar Surface Area80.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity462
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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