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DB04760 analog 1

CAT: 0804-HY-135237-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135237-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DB04760 analog 1 is an analogue of DB04760.
CAS Number
2728373-94-0
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/db04760-analog-1.html
Purity
99.87
Solubility
DMSO : ≥ 270 mg/mL
Smiles
O=C(NCC1=CC(C)=C(F)C=C1)C2=CC(C(NCC3=CC(C)=C(F)C=C3)=O)=CN=C2
Molecular Formula
C23H21F2N3O2
Molecular Weight
409.43
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-N,5-N-bis[(4-fluoro-3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CAS Number2728373-94-0
PubChem CID145925691
IUPAC Name3-N,5-N-bis[(4-fluoro-3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
Molecular FormulaC23H21F2N3O2
Molecular Weight409.4
XLogP3.3
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity543
SMILES
CC1=C(C=CC(=C1)CNC(=O)C2=CC(=CN=C2)C(=O)NCC3=CC(=C(C=C3)F)C)F
InChI
InChI=1S/C23H21F2N3O2/c1-14-7-16(3-5-20(14)24)10-27-22(29)18-9-19(13-26-12-18)23(30)28-11-17-4-6-21(25)15(2)8-17/h3-9,12-13H,10-11H2,1-2H3,(H,27,29)(H,28,30)
InChIKey
OJLMGGCCARSXJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-N,5-N-bis[(4-fluoro-3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CAS: 2728373-94-0
CID: 145925691
Formula: C23H21F2N3O2
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass409.16018325
Monoisotopic Mass409.16018325
Topological Polar Surface Area71.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity543
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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