Modoflaner

CAT: 0804-HY-137445-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No

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CAT#:0804-HY-137445-02Size:10 mM - 1 mL

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Description

Modoflaner is an isophenylamide insecticide. Modoflaner may act through allosteric regulation of gamma-aminobutyric acid-gated chloride channels[1][2].

CAS Number

1331922-53-2

UNSPSC

12352005

Hazard Statement

H315, H319

Target

Parasite

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-immunoregulation

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/modoflaner.html

Concentration

10mM

Purity

98.26

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(C1=CC=C(F)N=C1)NC2=CC=CC(C(NC3=C(C(F)(F)F)C=C(C(C(F)(F)F)(F)C(F)(F)F)C=C3I)=O)=C2F

Molecular Formula

C23H10F12IN3O2

Molecular Weight

715.23

Precautions

H315, H319

References & Citations

[1]International Nonproprietary Names for Pharmaceutical Substances (INN) . WHO Drug Information, Vol. 34, No. 2, 2020.|[2]Modoflaner.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Modoflaner

Modoflaner is a small molecule drug. Modoflaner has a monoisotopic molecular weight of 714.96 Da.

CAS Number	1331922-53-2
PubChem CID	138490927
IUPAC Name	6-fluoro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
Molecular Formula	C23H10F12IN3O2
Molecular Weight	715.2
XLogP	6.8
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	5
Heavy Atom Count	41
Formal Charge	0
Complexity	932

SMILES

C1=CC(=C(C(=C1)NC(=O)C2=CN=C(C=C2)F)F)C(=O)NC3=C(C=C(C=C3I)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F

InChI

InChI=1S/C23H10F12IN3O2/c24-15-5-4-9(8-37-15)18(40)38-14-3-1-2-11(16(14)25)19(41)39-17-12(21(27,28)29)6-10(7-13(17)36)20(26,22(30,31)32)23(33,34)35/h1-8H,(H,38,40)(H,39,41)

InChIKey

IUJSREIEVDNHMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1331922-53-2

CID: 138490927

Formula: C23H10F12IN3O2

MW: 715.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	715.2
XLogP3	6.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	5
Exact Mass	714.96261
Monoisotopic Mass	714.96261
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	932
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5799323	Modoflaner

Modoflaner

Chemical Information

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