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LC-1310

CAT: 0013-GTR19210334-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210334-02Size:50 mg
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Description
LC-1310 is a potent and irreversible small molecule inhibitor of the AAA+ ATPase p97 (VCP) . It is a valuable research tool for studying p97's role in protein homeostasis, with applications in cancer and neurodegenerative disease research, both in vitro and in vivo.
CAS Number
2322268-24-4
Smiles
CC=1N (C=2C (=C (NC (C=C) =O) C=CC2) C1) C3=NC (NCC4=CC=CC=C4) =C5C (=N3) CCOC5
Molecular Formula
C26H25N5O2
Molecular Weight
439.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methylindol-4-yl]prop-2-enamide
CAS Number2322268-24-4
PubChem CID155522981
IUPAC NameN-[1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methylindol-4-yl]prop-2-enamide
Molecular FormulaC26H25N5O2
Molecular Weight439.5
XLogP4
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity684
SMILES
CC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)NC(=O)C=C
InChI
InChI=1S/C26H25N5O2/c1-3-24(32)28-21-10-7-11-23-19(21)14-17(2)31(23)26-29-22-12-13-33-16-20(22)25(30-26)27-15-18-8-5-4-6-9-18/h3-11,14H,1,12-13,15-16H2,2H3,(H,28,32)(H,27,29,30)
InChIKey
CJLYSVHXDHBDEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methylindol-4-yl]prop-2-enamide
CAS: 2322268-24-4
CID: 155522981
Formula: C26H25N5O2
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass439.20082506
Monoisotopic Mass439.20082506
Topological Polar Surface Area81.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity684
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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