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VRT-534

CAT: 0931-T80852-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T80852-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
926664-32-6
Target
Others, Gap Junction Protein
Related Pathways
Others, Cytoskeletal Signaling
Bioactivity
VRT-534 is a compound that selectively targets connexin 26 (Cx26), demonstrating dose-responsive binding to both wild-type (WT) Cx26 and the mutant Cx26 K188N, with EC50 values of 19 μM and 5 μM, respectively. It has potential applications in research concerning hearing impairment [1].
Smiles
C(NC=1SC([C@H](C2=C(Cl)C=CC=C2)N3C[C@H](O)CC3)=CN1)(=O)C4(CC4)C=5C=C6C(=CC5)OCO6
Molecular Formula
C25H24ClN3O4S
Molecular Weight
497.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]-2-thiazolyl]-cyclopropanecarboxamide
CAS Number926664-32-6
PubChem CID45480521
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
Molecular FormulaC25H24ClN3O4S
Molecular Weight498.0
XLogP3.9
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity758
SMILES
C1CN(C[C@@H]1O)[C@@H](C2=CC=CC=C2Cl)C3=CN=C(S3)NC(=O)C4(CC4)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C25H24ClN3O4S/c26-18-4-2-1-3-17(18)22(29-10-7-16(30)13-29)21-12-27-24(34-21)28-23(31)25(8-9-25)15-5-6-19-20(11-15)33-14-32-19/h1-6,11-12,16,22,30H,7-10,13-14H2,(H,27,28,31)/t16-,22+/m1/s1
InChIKey
OUGLISSDQZYBGK-ZHRRBRCNSA-N
Chemical Structure
2D Structure
2D structure of 1-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]-2-thiazolyl]-cyclopropanecarboxamide
CAS: 926664-32-6
CID: 45480521
Formula: C25H24ClN3O4S
MW: 498.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.0
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass497.1176051
Monoisotopic Mass497.1176051
Topological Polar Surface Area112 Ų
Heavy Atom Count34
Formal Charge0
Complexity758
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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