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FASN-IN-5

CAT: 0013-GTR19185645-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185645-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FASN-IN-5
CAS Number
1309805-49-9
Field of Research
Metabolism Research, Signal Transduction
Purity
99.88% (May vary between batches)
Solubility
DMSO:160 mg/mL (345.92 mM)
Smiles
C (N1C (=NC=2C1=CC=NC2) C3=CC=C (C=C3) C=4C=C5C (=CC4) OC=C5) [C@H]6CN (C (=O) C7CC7) CC6
Molecular Formula
C29H26N4O2
Molecular Weight
462.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-(3-((2-(4-(benzofuran-5-yl)phenyl)-1H-iMidazo[4,5-c]pyridin-1-yl)Methyl)pyrrolidin-1-yl)(cyclopropyl)Methanone
CAS Number1309805-49-9
PubChem CID57519543
IUPAC Name[(3S)-3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
Molecular FormulaC29H26N4O2
Molecular Weight462.5
XLogP4.3
Topological Polar Surface Area64.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity766
SMILES
C1CN(C[C@@H]1CN2C3=C(C=NC=C3)N=C2C4=CC=C(C=C4)C5=CC6=C(C=C5)OC=C6)C(=O)C7CC7
InChI
InChI=1S/C29H26N4O2/c34-29(22-5-6-22)32-13-10-19(17-32)18-33-26-9-12-30-16-25(26)31-28(33)21-3-1-20(2-4-21)23-7-8-27-24(15-23)11-14-35-27/h1-4,7-9,11-12,14-16,19,22H,5-6,10,13,17-18H2/t19-/m1/s1
InChIKey
MXQGGBTXHJSPPG-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of (S)-(3-((2-(4-(benzofuran-5-yl)phenyl)-1H-iMidazo[4,5-c]pyridin-1-yl)Methyl)pyrrolidin-1-yl)(cyclopropyl)Methanone
CAS: 1309805-49-9
CID: 57519543
Formula: C29H26N4O2
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass462.20557608
Monoisotopic Mass462.20557608
Topological Polar Surface Area64.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity766
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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