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MK-3901

CAT: 0013-GTR19209308-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209308-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MK-3901
CAS Number
1149750-69-5
Smiles
C (N[C@H] (C) C1=CC=C (F) C=N1) (=O) C2=CC (=CC (=C2) C3=CC=C (C) C=N3) C=4C[C@H] (ON4) C5=CC=CC=N5
Molecular Formula
C28H24FN5O2
Molecular Weight
481.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(1R)-1-(5-Fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydroisoxazol-3-yl]benzamide
CAS Number1149750-69-5
PubChem CID66895517
IUPAC NameN-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(5-methyl-2-pyridinyl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
Molecular FormulaC28H24FN5O2
Molecular Weight481.5
XLogP3.5
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity781
SMILES
CC1=CN=C(C=C1)C2=CC(=CC(=C2)C(=O)N[C@H](C)C3=NC=C(C=C3)F)C4=NO[C@@H](C4)C5=CC=CC=N5
InChI
InChI=1S/C28H24FN5O2/c1-17-6-8-24(31-15-17)19-11-20(26-14-27(36-34-26)25-5-3-4-10-30-25)13-21(12-19)28(35)33-18(2)23-9-7-22(29)16-32-23/h3-13,15-16,18,27H,14H2,1-2H3,(H,33,35)/t18-,27+/m1/s1
InChIKey
SUXRXYKUAHNUAX-CLYVBNDRSA-N
Chemical Structure
2D Structure
2D structure of N-[(1R)-1-(5-Fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)-5-[(5S)-5-pyridin-2-yl-4,5-dihydroisoxazol-3-yl]benzamide
CAS: 1149750-69-5
CID: 66895517
Formula: C28H24FN5O2
MW: 481.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass481.19140319
Monoisotopic Mass481.19140319
Topological Polar Surface Area89.4 Ų
Heavy Atom Count36
Formal Charge0
Complexity781
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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