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LOC14

CAT: 0013-GTR19169653-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169653-04Size:50 mg
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Description
LOC14 is the most potent small-molecule inhibitor of protein disulfide isomerase (PDI) currently reported, exhibiting an EC50 of 500 nM. This compound is a valuable research tool for investigating PDI's role in thrombus formation, cancer cell survival, and neurodegenerative diseases in both cellular and animal models.
CAS Number
877963-94-5
Product Name Alternative
Inhibitor, inhibit, LOC 14, LOC14, LOC-14, PDI
Purity
98.22% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.3 mM) ; DMSO:50 mg/mL (157.52 mM)
Smiles
O=C (C1CC1) N1CCN (Cn2sc3ccccc3c2=O) CC1
Molecular Formula
C16H19N3O2S
Molecular Weight
317.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
CAS Number877963-94-5
PubChem CID9117962
IUPAC Name2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
Molecular FormulaC16H19N3O2S
Molecular Weight317.4
XLogP1.3
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity460
SMILES
C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3
InChI
InChI=1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2
InChIKey
YVBSNHLFRIVWFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
CAS: 877963-94-5
CID: 9117962
Formula: C16H19N3O2S
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass317.11979803
Monoisotopic Mass317.11979803
Topological Polar Surface Area69.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity460
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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Alternative Products

CatalogName
BA4401-50LOC14
HY-100432RLOC14 (Standard)
A20491-100LOC14 100mg
A20491-50LOC14 50mg
A20491-25LOC14 25mg
A20491-10LOC14 10mg
A20491-5LOC14 5mg

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