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VA-K-14 hydrochloride

CAT: 0931-T29087-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T29087-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1171341-19-7
Target
TSH Receptor
Related Pathways
GPCR/G Protein
Purity
0.9937
Bioactivity
VA-K-14 hydrochloride (VAK14 HCl) is a selective thyrotropin receptor (TSHR) antagonist (IC50= 12.3 μM) that inhibits TSHR stimulation by serum and monoclonal TSHR-stimulating antibodies from patients with GD and abrogates TSHR signaling.
Smiles
Cl.CNc1nc(cs1)-c1c([nH]c2ccccc12)-c1ccccc1
Molecular Formula
C18H16ClN3S
Molecular Weight
341.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-methyl-4-(2-phenyl-1H-indol-3-yl)-1,3-thiazol-2-amine hydrochloride
CAS Number1171341-19-7
PubChem CID17479126
IUPAC NameN-methyl-4-(2-phenyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrochloride
Molecular FormulaC18H16ClN3S
Molecular Weight341.9
Topological Polar Surface Area69
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity371
SMILES
CNC1=NC(=CS1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4.Cl
InChI
InChI=1S/C18H15N3S.ClH/c1-19-18-21-15(11-22-18)16-13-9-5-6-10-14(13)20-17(16)12-7-3-2-4-8-12;/h2-11,20H,1H3,(H,19,21);1H
InChIKey
MMEANJJDNROSBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-4-(2-phenyl-1H-indol-3-yl)-1,3-thiazol-2-amine hydrochloride
CAS: 1171341-19-7
CID: 17479126
Formula: C18H16ClN3S
MW: 341.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass341.0753464
Monoisotopic Mass341.0753464
Topological Polar Surface Area69 Ų
Heavy Atom Count23
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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