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4μ8C

CAT: 1568-C12564-01Size: 10 mgDry Ice: YesHazardous: No
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CAT#:1568-C12564-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14003-96-4
Synonyms
IRE1 Inhibitor III
SKU
C12564-10mg
Target
IRE1
Applications
ER stress & UPR
Smiles
CC1=CC (=O) OC2=C1C=CC (=C2C=O) O
Molecular Formula
C11H8O4
Additionnal Information
4μ8C (IRE1 Inhibitor III) is a potent and selective IRE1 Rnase inhibitor with IC50 of 76 nM.
Storage Conditions
2 years -80 in solvent

Chemical Information

4-Methylumbelliferone 8-carbaldehyde

4mu8C is an organic molecular entity. It has a role as an EC 2.7.11.* (protein-serine/threonine kinase) inhibitor.

CAS Number14003-96-4
PubChem CID12934390
IUPAC Name7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
Molecular FormulaC11H8O4
Molecular Weight204.18
XLogP1.5
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity321
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C=O)O
InChI
InChI=1S/C11H8O4/c1-6-4-10(14)15-11-7(6)2-3-9(13)8(11)5-12/h2-5,13H,1H3
InChIKey
RTHHSXOVIJWFQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylumbelliferone 8-carbaldehyde
CAS: 14003-96-4
CID: 12934390
Formula: C11H8O4
MW: 204.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.18
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass204.04225873
Monoisotopic Mass204.04225873
Topological Polar Surface Area63.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity321
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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