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AG-14361

CAT: 0607-A4158-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-A4158-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Potent PARP1 inhibitor
CAS Number
328543-09-5
Product Name Alternative
1-(4-((dimethylamino)methyl)phenyl)-8,9-dihydro-2,7,9a-triazabenzo[cd]azulen-6(7H)-one
Field of Research
Chromatin Epigenetics PARP DNA Damage DNA Repair PARP
Purity
0.9917
Form
A solid
Solubility
insoluble in H2O; ≥10.14 mg/mL in EtOH with gentle warming and ultrasonic; ≥16 mg/mL in DMSO
Smiles
O=C1N([H])C([H])([H])C([H])([H])N2C3=C1C([H])=C([H])C([H])=C3N=C2C(C([H])=C4[H])=C([H])C([H])=C4C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
Molecular Formula
C19H20N4O
Molecular Weight
320.39
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

AG-14361

LSM-1988 is a member of benzimidazoles.

CAS Number328543-09-5
PubChem CID9840076
IUPAC Name2-[4-[(dimethylamino)methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
Molecular FormulaC19H20N4O
Molecular Weight320.4
XLogP1.9
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity460
SMILES
CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O
InChI
InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
InChIKey
SEKJSSBJKFLZIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AG-14361
CAS: 328543-09-5
CID: 9840076
Formula: C19H20N4O
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass320.16371127
Monoisotopic Mass320.16371127
Topological Polar Surface Area50.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity460
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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