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ML367

CAT: 0931-T5425-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5425-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
381168-77-0
Target
Others, Epigenetic Reader Domain, Chk
Related Pathways
Cell Cycle/Checkpoint, Chromatin/Epigenetic, Others
Purity
0.9939
Bioactivity
ML367 is a potent inhibitor of ATPase family AAA domain-containing protein 5 (ATAD5) stabilization and serves as a probe molecule with low micromolar inhibitory activity.
Smiles
Fc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1F
Molecular Formula
C19H12F2N4
Molecular Weight
334.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CAS Number381168-77-0
PubChem CID921541
IUPAC NameN-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
Molecular FormulaC19H12F2N4
Molecular Weight334.3
XLogP4.2
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity432
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC(=C(C=C4)F)F
InChI
InChI=1S/C19H12F2N4/c20-15-6-5-13(11-16(15)21)23-19-14-3-1-2-4-17(14)24-18(25-19)12-7-9-22-10-8-12/h1-11H,(H,23,24,25)
InChIKey
LBPYNNJXARHGAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CAS: 381168-77-0
CID: 921541
Formula: C19H12F2N4
MW: 334.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight334.3
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass334.10300272
Monoisotopic Mass334.10300272
Topological Polar Surface Area50.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity432
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