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TC-O 9311

CAT: 0804-HY-101777-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101777-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TC-O 9311 is a potent orphan G protein-coupled receptor 139 (GPR139) agonist with an EC50 of 39 nM[1].
CAS Number
444932-31-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
GPR139
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tc-o-9311.html
Purity
99.83
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(NNC(NC1=C2C=CC=CC2=CC=C1)=O)C3=CC(OC)=CC(OC)=C3
Molecular Formula
C20H19N3O4
Molecular Weight
365.38
Precautions
H302, H315, H319, H335
References & Citations
[1]Shi F, et al. Discovery and SAR of a Series of Agonists at Orphan G Protein-Coupled Receptor 139. ACS Med Chem Lett. 2011 Feb 28;2 (4) :303-6.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(3,5-Dimethoxybenzoyl)-N-(naphthalen-1-yl)hydrazinecarboxamide
CAS Number444932-31-4
PubChem CID3376937
IUPAC Name1-[(3,5-dimethoxybenzoyl)amino]-3-naphthalen-1-ylurea
Molecular FormulaC20H19N3O4
Molecular Weight365.4
XLogP3.3
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity503
SMILES
COC1=CC(=CC(=C1)C(=O)NNC(=O)NC2=CC=CC3=CC=CC=C32)OC
InChI
InChI=1S/C20H19N3O4/c1-26-15-10-14(11-16(12-15)27-2)19(24)22-23-20(25)21-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,1-2H3,(H,22,24)(H2,21,23,25)
InChIKey
KPTMSQHTGZMEFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,5-Dimethoxybenzoyl)-N-(naphthalen-1-yl)hydrazinecarboxamide
CAS: 444932-31-4
CID: 3376937
Formula: C20H19N3O4
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass365.13755610
Monoisotopic Mass365.13755610
Topological Polar Surface Area88.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity503
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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Alternative Products

CatalogName
T4626-01TC-O 9311
A19282-10TC-O 9311 10mg
A19282-5TC-O 9311 5mg
A19282-200TC-O 9311 200mg
A19282-50TC-O 9311 50mg
A19282-100TC-O 9311 100mg
A19282-25TC-O 9311 25mg
A19282-10mM-DTC-O 9311 10mM * 1mL in DMSO
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