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NIC3

CAT: 0013-GTR19216927-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216927-07Size:100 mg
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Description
NIC3 is a selective nucleus accumbens-associated protein-1 (NAC1) inhibitor, with anti-cancer activity.
CAS Number
494830-67-0
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (113.49 mM)
Smiles
CC (C) (C) C1=CC=C (OCC (NCCNC (COC2=CC=C (C (C) (C) C) C=C2) =O) =O) C=C1
Molecular Formula
C26H36N2O4
Molecular Weight
440.58
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N,N'-(Ethane-1,2-diyl)bis(2-(4-(tert-butyl)phenoxy)acetamide)
CAS Number494830-67-0
PubChem CID2930555
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]acetamide
Molecular FormulaC26H36N2O4
Molecular Weight440.6
XLogP5.6
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity526
SMILES
CC(C)(C)C1=CC=C(C=C1)OCC(=O)NCCNC(=O)COC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C26H36N2O4/c1-25(2,3)19-7-11-21(12-8-19)31-17-23(29)27-15-16-28-24(30)18-32-22-13-9-20(10-14-22)26(4,5)6/h7-14H,15-18H2,1-6H3,(H,27,29)(H,28,30)
InChIKey
ZVSHISOEPMAPLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-(Ethane-1,2-diyl)bis(2-(4-(tert-butyl)phenoxy)acetamide)
CAS: 494830-67-0
CID: 2930555
Formula: C26H36N2O4
MW: 440.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.6
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass440.26750763
Monoisotopic Mass440.26750763
Topological Polar Surface Area76.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity526
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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Alternative Products

CatalogName
MBS3614969-01NIC3
A18497-5NIC3 5mg
A18497-2NIC3 2mg
A18497-50NIC3 50mg
A18497-25NIC3 25mg
A18497-200NIC3 200mg
A18497-500NIC3 500mg
A18497-100NIC3 100mg
A18497-10NIC3 10mg
A18497-10mM-DNIC3 10mM * 1mL in DMSO

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