Products for Research Use Only

JG-98

CAT: 0013-GTR19168515-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168515-02Size:2 mg
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Description
JG-98
CAS Number
1456551-16-8
Product Name Alternative
Apoptosis, Heat shock proteins, Inhibitor, HSP, HSP70, inhibit, JG98, JG-98, JG 98
Field of Research
Cell Biology, Metabolism Research, Signal Transduction
Purity
99.13% (May vary between batches)
Solubility
DMSO:5 mg/mL (9.35 mM)
Smiles
[Cl-].CCn1\c (=C\c2scc[n+]2Cc2ccccc2) s\c (=C2\Sc3cc (Cl) ccc3N2C) c1=O
Molecular Formula
C24H21Cl2N3OS3
Molecular Weight
534.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Benzyl-2-((Z)-((E)-5-(6-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)methyl)thiazol-3-ium chloride
CAS Number1456551-16-8
PubChem CID72547053
IUPAC Name(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one chloride
Molecular FormulaC24H21Cl2N3OS3
Molecular Weight534.5
Topological Polar Surface Area106
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity784
SMILES
CCN1/C(=C/C2=[N+](C=CS2)CC3=CC=CC=C3)/S/C(=C/4\N(C5=C(S4)C=C(C=C5)Cl)C)/C1=O.[Cl-]
InChI
InChI=1S/C24H21ClN3OS3.ClH/c1-3-28-21(14-20-27(11-12-30-20)15-16-7-5-4-6-8-16)32-22(23(28)29)24-26(2)18-10-9-17(25)13-19(18)31-24;/h4-14H,3,15H2,1-2H3;1H/q+1;/p-1/b24-22+;
InChIKey
AUPPGWXGMILTRB-HDPAMLMOSA-M
Chemical Structure
2D Structure
2D structure of 3-Benzyl-2-((Z)-((E)-5-(6-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)methyl)thiazol-3-ium chloride
CAS: 1456551-16-8
CID: 72547053
Formula: C24H21Cl2N3OS3
MW: 534.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight534.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass533.0223812
Monoisotopic Mass533.0223812
Topological Polar Surface Area106 Ų
Heavy Atom Count33
Formal Charge0
Complexity784
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes