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(R) -NVS-ZP7-4

CAT: 0931-T12634-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T12634-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2517682-14-1
Target
Others
Related Pathways
Others
Bioactivity
(R) -NVS-ZP7-4 is the R-isomer of NVS-ZP7-4, a Zinc transporter SLC39A7 (ZIP7) inhibitor and the first reported chemical tool to explore the effects of modulating ER zinc levels and investigate ZIP7 as a novel druggable node in the Notch pathway.
Smiles
O=C1NC2(C=3C(N1)=CC=CC3)CCN(C[C@H](NC4=NC=5C(S4)=CC(F)=CC5)CC6=CC=CC=C6)CC2
Molecular Formula
C28H28FN5OS
Molecular Weight
501.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-Nvs-ZP7-4
CAS Number2517682-14-1
PubChem CID145712359
IUPAC Name1'-[(2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3-phenylpropyl]spiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one
Molecular FormulaC28H28FN5OS
Molecular Weight501.6
XLogP5.5
Topological Polar Surface Area97.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity758
SMILES
C1CN(CCC12C3=CC=CC=C3NC(=O)N2)C[C@@H](CC4=CC=CC=C4)NC5=NC6=C(S5)C=C(C=C6)F
InChI
InChI=1S/C28H28FN5OS/c29-20-10-11-24-25(17-20)36-27(32-24)30-21(16-19-6-2-1-3-7-19)18-34-14-12-28(13-15-34)22-8-4-5-9-23(22)31-26(35)33-28/h1-11,17,21H,12-16,18H2,(H,30,32)(H2,31,33,35)/t21-/m1/s1
InChIKey
FZOFDZMKSAUTHT-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of (R)-Nvs-ZP7-4
CAS: 2517682-14-1
CID: 145712359
Formula: C28H28FN5OS
MW: 501.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.6
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass501.19985987
Monoisotopic Mass501.19985987
Topological Polar Surface Area97.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity758
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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