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MKC3946

CAT: 0931-TQ0101-04Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-TQ0101-04Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1093119-54-0
Target
IRE1
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9997
Bioactivity
MKC3946 is an effective and soluble IRE1α inhibitor which triggered modest growth inhibition in multiple myeloma cell lines.
Smiles
CN1CCN(CC1)C(=O)c1ccc(s1)-c1ccc2c(C=O)c(O)ccc2c1
Molecular Formula
C21H20N2O3S
Molecular Weight
380.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde
CAS Number1093119-54-0
PubChem CID59599728
IUPAC Name2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]naphthalene-1-carbaldehyde
Molecular FormulaC21H20N2O3S
Molecular Weight380.5
XLogP3.8
Topological Polar Surface Area89.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity552
SMILES
CN1CCN(CC1)C(=O)C2=CC=C(S2)C3=CC4=C(C=C3)C(=C(C=C4)O)C=O
InChI
InChI=1S/C21H20N2O3S/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3
InChIKey
IVQVBMWPWPTSNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde
CAS: 1093119-54-0
CID: 59599728
Formula: C21H20N2O3S
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass380.11946368
Monoisotopic Mass380.11946368
Topological Polar Surface Area89.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity552
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
MBS387260-01MKC3946
A12508-50MKC3946 50mg
A12508-5MKC3946 5mg
A12508-1MKC3946 1mg
A12508-10MKC3946 10mg
A12508-100MKC3946 100mg
A12508-25MKC3946 25mg
A12508-10mM-DMKC3946 10mM * 1mL in DMSO

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