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SMIFH2

CAT: 1410-M27714-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M27714-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SMIFH2 is formin homology 2 (FH2) domains inhibitor.
CAS Number
340316-62-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
377.21
Molecular Formula
C15H9BrN2O3S
Notes
Research use only, not for human use.
Receptor
MGluR5

Chemical Information

Smifh2

SMIFH2 is an organic molecular entity.

CAS Number340316-62-3
PubChem CID2258538
IUPAC Name(5E)-1-(3-bromophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Molecular FormulaC15H9BrN2O3S
Molecular Weight377.2
XLogP3.1
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity537
SMILES
C1=CC(=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=CO3)/C(=O)NC2=S
InChI
InChI=1S/C15H9BrN2O3S/c16-9-3-1-4-10(7-9)18-14(20)12(13(19)17-15(18)22)8-11-5-2-6-21-11/h1-8H,(H,17,19,22)/b12-8+
InChIKey
MVFJHEQDISFYIS-XYOKQWHBSA-N
Chemical Structure
2D Structure
2D structure of Smifh2
CAS: 340316-62-3
CID: 2258538
Formula: C15H9BrN2O3S
MW: 377.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.2
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass375.95173
Monoisotopic Mass375.95173
Topological Polar Surface Area94.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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MBS3616297-01SMIFH2
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A24550-10SMIFH2 10mg
A24550-50SMIFH2 50mg
A24550-5SMIFH2 5mg

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