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AF-DX 384

CAT: 0607-B6697-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6697-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
M2/M4 selective antagonist
CAS Number
118290-26-9
Product Name Alternative
(Z)-N-(2-(2-((dipropylamino)methyl)piperidin-1-yl)ethyl)-6-hydroxy-11H-benzo[e]pyrido[3,2-b][1,4]diazepine-11-carbimidic acid
Field of Research
Neuroscience Muscarinic Receptor
Form
Pale yellow solid
Solubility
insoluble in ethanol; <23.93mg/ml in DMSO
Smiles
CCCN(CC1CCCCN1CC/N=C(O)/N2C3=CC=CC=C3C(O)=NC4=C2N=CC=C4)CCC
Molecular Formula
C27H38N6O2
Molecular Weight
478.64
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

AF-DX-384

N-[2-[2-[(dipropylamino)methyl]-1-piperidinyl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide is a benzodiazepine.

CAS Number118290-26-9
PubChem CID119357
IUPAC NameN-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
Molecular FormulaC27H38N6O2
Molecular Weight478.6
XLogP2.8
Topological Polar Surface Area80.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity685
SMILES
CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
InChIKey
MZDYABXXPZNUCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AF-DX-384
CAS: 118290-26-9
CID: 119357
Formula: C27H38N6O2
MW: 478.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.6
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass478.30562448
Monoisotopic Mass478.30562448
Topological Polar Surface Area80.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity685
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-107652-01AF-DX 384
441034-01AF-DX 116
A13856-1AF-DX 384 1mg
A13856-5AF-DX 384 5mg
217161AF-DX 116 (Muscarinic Receptor (mAChR) M2 Antagonist, AF-DX 116, Otenzepad, AF-DX116, AF-DX-116, AFDX116) discontinued
A13856-50AF-DX 384 50mg
A13856-25AF-DX 384 25mg
HY-124223AF-DX 384 (methanesulfonate)
A13856-10AF-DX 384 10mg
TEA29026-01AF-DX 384 Free Base

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