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FITM

CAT: 0931-T7292-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T7292-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
932737-65-0
Target
GluR
Related Pathways
Neuroscience
Purity
0.98
Bioactivity
FITM is a potent negative allosteric modulator of mGlu1 receptor (Ki : 2.5 nM) .
Smiles
CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
Molecular Formula
C18H18FN5OS
Molecular Weight
371.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide

a PET ligand for imaging mGluR1 receptors; structure in first source

CAS Number932737-65-0
PubChem CID16660135
IUPAC Name4-fluoro-N-methyl-N-[4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
Molecular FormulaC18H18FN5OS
Molecular Weight371.4
XLogP3.5
Topological Polar Surface Area99.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity474
SMILES
CC(C)NC1=NC=NC(=C1)C2=CSC(=N2)N(C)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)
InChIKey
WIVGIKIKQHUFOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide
CAS: 932737-65-0
CID: 16660135
Formula: C18H18FN5OS
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass371.12160955
Monoisotopic Mass371.12160955
Topological Polar Surface Area99.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity474
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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