CDFI

CAT: 0804-HY-156009-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-156009-03Size:25 mg

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Description

CDFI is an inhibitor of the lipid II flippase MurJ. CDFI potentiates the activity of β-lactams against MRSA[1][2].

CAS Number

1199797-92-6

UNSPSC

12352005

Target

Others

Type

Reference compound

Related Pathways

Others

Applications

COVID-19-immunoregulation

Field of Research

Infection

Assay Protocol

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

Purity

99.83

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

FC1=CC2=C(NC(C3=C(Cl)C=CC=C3)=C2C4CCN(CC4)CC5=C(C)C(C)=CC=C5)C=C1

Molecular Formula

C28H28ClFN2

Molecular Weight

446.99

References & Citations

[1]Fernandes PB, et al. Revisiting the Role of VraTSR in Staphylococcus aureus Response to Cell Wall-Targeting Antibiotics. J Bacteriol. 2022 Aug 16;204 (8) :e0016222.|[2]Dhanda G, et al. Antibiotic Adjuvants: A Versatile Approach to Combat Antibiotic Resistance. ACS Omega. 2023 Mar 14;8 (12) :10757-10783.

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

2-(2-Chlorophenyl)-3-(1-(2,3-dimethylbenzyl)piperidin-4-yl)-5-fluoro-1h-indole

CAS Number	1199797-92-6
PubChem CID	91222279
IUPAC Name	2-(2-chlorophenyl)-3-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-fluoro-1H-indole
Molecular Formula	C28H28ClFN2
Molecular Weight	447.0
XLogP	7.2
Topological Polar Surface Area	19
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	608

SMILES

CC1=C(C(=CC=C1)CN2CCC(CC2)C3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5Cl)C

InChI

InChI=1S/C28H28ClFN2/c1-18-6-5-7-21(19(18)2)17-32-14-12-20(13-15-32)27-24-16-22(30)10-11-26(24)31-28(27)23-8-3-4-9-25(23)29/h3-11,16,20,31H,12-15,17H2,1-2H3

InChIKey

KRLGPLURVLJNOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1199797-92-6

CID: 91222279

Formula: C28H28ClFN2

MW: 447.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	447.0
XLogP3	7.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	446.1925048
Monoisotopic Mass	446.1925048
Topological Polar Surface Area	19 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	608
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

Alternative Products

Catalog	Name
MBS5824411	CDFI

CDFI

Chemical Information

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