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DF-1012

CAT: 0013-GTR19197777-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197777-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DF-1012 is an orally active small molecule that acts as a 5-HT3 receptor antagonist. It is utilized in research for its antitussive, antiasthmatic, and anti-inflammatory properties, applicable in both in vitro binding assays and in vivo models of respiratory inflammation.
CAS Number
163220-65-3
Smiles
C (N[C@H]1C[C@@]2 (N (C) [C@] (C1) (CC2) [H]) [H]) (=O) C=3C=4C (NC3) =NC=CC4
Molecular Formula
C16H20N4O
Molecular Weight
284.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ewv392haz9
CAS Number163220-65-3
PubChem CID11231449
IUPAC NameN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
Molecular FormulaC16H20N4O
Molecular Weight284.36
XLogP1.8
Topological Polar Surface Area61
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity401
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)C3=CNC4=C3C=CC=N4
InChI
InChI=1S/C16H20N4O/c1-20-11-4-5-12(20)8-10(7-11)19-16(21)14-9-18-15-13(14)3-2-6-17-15/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,18)(H,19,21)/t10?,11-,12+
InChIKey
STKDYVJHOZZQEH-YOGCLGLASA-N
Chemical Structure
2D Structure
2D structure of Ewv392haz9
CAS: 163220-65-3
CID: 11231449
Formula: C16H20N4O
MW: 284.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.36
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass284.16371127
Monoisotopic Mass284.16371127
Topological Polar Surface Area61 Ų
Heavy Atom Count21
Formal Charge0
Complexity401
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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HY-105146DF-1012
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HO051051-8KDF-PEG-DF, 8K
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HO051051-2K-01DF-PEG-DF, 2K
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