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ML407

CAT: 0013-GTR19193487-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193487-01Size:25 mg
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Description
ML407 is a small molecule compound that induces apoptosis in Cryptococcus yeast cells. It is a valuable research tool for studying fungal pathogenesis and host-pathogen interactions, with applications in both in vitro cell culture models and in vivo animal studies of cryptococcosis.
CAS Number
701940-94-5
Smiles
CC (C) C1=CC=C (C) C=C1OCCN1C (S) =NC2=C1C=CC=C2
Molecular Formula
C19H22N2OS
Molecular Weight
326.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
CAS Number701940-94-5
PubChem CID970188
IUPAC Name3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
Molecular FormulaC19H22N2OS
Molecular Weight326.5
XLogP4.5
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity414
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCN2C3=CC=CC=C3NC2=S
InChI
InChI=1S/C19H22N2OS/c1-13(2)15-9-8-14(3)12-18(15)22-11-10-21-17-7-5-4-6-16(17)20-19(21)23/h4-9,12-13H,10-11H2,1-3H3,(H,20,23)
InChIKey
FEHKMRKXIVBAPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
CAS: 701940-94-5
CID: 970188
Formula: C19H22N2OS
MW: 326.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass326.14528450
Monoisotopic Mass326.14528450
Topological Polar Surface Area56.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity414
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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CatalogName
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