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ML-241

CAT: 1410-M11397-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M11397-01Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML241 is a potent, selective and reversible AAA ATPase p97 inhibitor (IC50=100 nM) .
CAS Number
1346528-06-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
372.46
Molecular Formula
C23H24N4O
Notes
Research use only, not for human use.
Receptor
P97

Chemical Information

2-(2H-benzo[b][1,4]oxazin-4(3H)-yl)-N-benzyl-5,6,7,8-tetrahydroquinazolin-4-amine
CAS Number1346528-06-0
PubChem CID49830260
IUPAC NameN-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
Molecular FormulaC23H24N4O
Molecular Weight372.5
XLogP5
Topological Polar Surface Area50.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity497
SMILES
C1CCC2=C(C1)C(=NC(=N2)N3CCOC4=CC=CC=C43)NCC5=CC=CC=C5
InChI
InChI=1S/C23H24N4O/c1-2-8-17(9-3-1)16-24-22-18-10-4-5-11-19(18)25-23(26-22)27-14-15-28-21-13-7-6-12-20(21)27/h1-3,6-9,12-13H,4-5,10-11,14-16H2,(H,24,25,26)
InChIKey
RMZPVQQGYVSLAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2H-benzo[b][1,4]oxazin-4(3H)-yl)-N-benzyl-5,6,7,8-tetrahydroquinazolin-4-amine
CAS: 1346528-06-0
CID: 49830260
Formula: C23H24N4O
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass372.19501140
Monoisotopic Mass372.19501140
Topological Polar Surface Area50.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity497
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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