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NCGC607

CAT: 0013-GTR19156106-06Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156106-06Size:25 mg
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Description
NCGC607 is a a noninhibitory chaperone of glucocerebrosidase (GCase) .
CAS Number
1462267-07-7
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 62.5 mg/mL (115.03 mM)
Smiles
CN (C1=CC=CC=C1) C (=O) CNC (=O) C2=CC=CC=C2OCC (=O) NC3=CC=C (C=C3) I
Molecular Formula
C24H22IN3O4
Molecular Weight
543.36
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ncgc607

a glucocerebrosidase chaperone; structure in first source

CAS Number1462267-07-7
PubChem CID46943210
IUPAC Name2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide
Molecular FormulaC24H22IN3O4
Molecular Weight543.4
XLogP3.8
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity633
SMILES
CN(C1=CC=CC=C1)C(=O)CNC(=O)C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)I
InChI
InChI=1S/C24H22IN3O4/c1-28(19-7-3-2-4-8-19)23(30)15-26-24(31)20-9-5-6-10-21(20)32-16-22(29)27-18-13-11-17(25)12-14-18/h2-14H,15-16H2,1H3,(H,26,31)(H,27,29)
InChIKey
HFVDMJQQAKLUSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ncgc607
CAS: 1462267-07-7
CID: 46943210
Formula: C24H22IN3O4
MW: 543.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass543.06550
Monoisotopic Mass543.06550
Topological Polar Surface Area87.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity633
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

Alternative Products

CatalogName
MBS3846661-01NCGC607
A22126-25NCGC607 25mg
A22126-10NCGC607 10mg
A22126-100NCGC607 100mg
A22126-50NCGC607 50mg
A22126-200NCGC607 200mg
A22126-5NCGC607 5mg
A22126-2NCGC607 2mg
A22126-10mM-DNCGC607 10mM * 1mL in DMSO

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