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LC-1028

CAT: 1410-M13662-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M13662-02Size:5 mg
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Description
LC-1028 (LC1028) is a novel potent selective, covalent and irreversible inhibitor of p97 (valosin-containing protein) .
CAS Number
2324158-08-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
449.558
Molecular Formula
C28H27N5O
Notes
Research use only, not for human use.
Receptor
P97

Chemical Information

N-[1-[4-(benzylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylindol-4-yl]but-2-ynamide
CAS Number2324158-08-7
PubChem CID154730745
IUPAC NameN-[1-[4-(benzylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylindol-4-yl]but-2-ynamide
Molecular FormulaC28H27N5O
Molecular Weight449.5
XLogP5.9
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity767
SMILES
CC#CC(=O)NC1=C2C=C(N(C2=CC=C1)C3=NC4=C(CCCC4)C(=N3)NCC5=CC=CC=C5)C
InChI
InChI=1S/C28H27N5O/c1-3-10-26(34)30-24-15-9-16-25-22(24)17-19(2)33(25)28-31-23-14-8-7-13-21(23)27(32-28)29-18-20-11-5-4-6-12-20/h4-6,9,11-12,15-17H,7-8,13-14,18H2,1-2H3,(H,30,34)(H,29,31,32)
InChIKey
YOUVOKAIDVNCJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[1-[4-(benzylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylindol-4-yl]but-2-ynamide
CAS: 2324158-08-7
CID: 154730745
Formula: C28H27N5O
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass449.22156050
Monoisotopic Mass449.22156050
Topological Polar Surface Area71.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity767
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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