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KUNG29

CAT: 1410-M12952-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12952-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective Grp94 inhibitor with Kd of 0.2 uM.
CAS Number
1887032-92-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
430.89
Molecular Formula
C22H23ClN2O5
Notes
Research use only, not for human use.
Receptor
HSP

Chemical Information

Methyl 3-chloro-2-[2-[1-[(2-ethoxyphenyl)methyl]imidazol-2-yl]ethyl]-4,6-dihydroxybenzoate
CAS Number1887032-92-9
PubChem CID127052285
IUPAC Namemethyl 3-chloro-2-[2-[1-[(2-ethoxyphenyl)methyl]imidazol-2-yl]ethyl]-4,6-dihydroxybenzoate
Molecular FormulaC22H23ClN2O5
Molecular Weight430.9
XLogP4.5
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity554
SMILES
CCOC1=CC=CC=C1CN2C=CN=C2CCC3=C(C(=CC(=C3Cl)O)O)C(=O)OC
InChI
InChI=1S/C22H23ClN2O5/c1-3-30-18-7-5-4-6-14(18)13-25-11-10-24-19(25)9-8-15-20(22(28)29-2)16(26)12-17(27)21(15)23/h4-7,10-12,26-27H,3,8-9,13H2,1-2H3
InChIKey
ZPXKRKAPYWMXER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-chloro-2-[2-[1-[(2-ethoxyphenyl)methyl]imidazol-2-yl]ethyl]-4,6-dihydroxybenzoate
CAS: 1887032-92-9
CID: 127052285
Formula: C22H23ClN2O5
MW: 430.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.9
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass430.1295495
Monoisotopic Mass430.1295495
Topological Polar Surface Area93.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity554
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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