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MNI-135

CAT: 0013-GTR19193484-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193484-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MNI-135 is a bioactive small molecule compound utilized in biochemical research. It serves as a tool compound in neuroscience, particularly for studying receptor function and signaling pathways in both in vitro cellular assays and in vivo experimental models.
CAS Number
335257-47-1
Smiles
Ic1ccc2N=C (CC (=O) Nc2c1) c1cccc (c1) C#N |c:5|
Molecular Formula
C16H10IN3O
Molecular Weight
387.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(7-Iodo-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-benzonitrile
CAS Number335257-47-1
PubChem CID22224658
IUPAC Name3-(8-iodo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile
Molecular FormulaC16H10IN3O
Molecular Weight387.17
XLogP2.8
Topological Polar Surface Area65.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity495
SMILES
C1C(=NC2=C(C=C(C=C2)I)NC1=O)C3=CC=CC(=C3)C#N
InChI
InChI=1S/C16H10IN3O/c17-12-4-5-13-15(7-12)20-16(21)8-14(19-13)11-3-1-2-10(6-11)9-18/h1-7H,8H2,(H,20,21)
InChIKey
ICZDUQJWEGHZCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(7-Iodo-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-benzonitrile
CAS: 335257-47-1
CID: 22224658
Formula: C16H10IN3O
MW: 387.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.17
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass386.98686
Monoisotopic Mass386.98686
Topological Polar Surface Area65.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity495
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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