MI-4F

CAT: 0013-GTR19249815-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19249815-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

MI-4F is a small molecule ionic compound exhibiting potent anticancer activity in both cellular assays and animal models. It is a research tool for investigating oncology pathways and evaluating therapeutic efficacy in preclinical in vitro and in vivo studies.

CAS Number

346460-45-5

Smiles

[Cl-].FC1=CC=C (C=C1) C=CC=2SC (=N[N+]2C=3C=CC=CC3) NC=4C=CC=CC4

Molecular Formula

C22H17ClFN3S

Molecular Weight

409.907

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

MI-4F

CAS Number	346460-45-5
PubChem CID	12078623
IUPAC Name	5-[(E)-2-(4-fluorophenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride
Molecular Formula	C22H17ClFN3S
Molecular Weight	409.9
Topological Polar Surface Area	57
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	468

SMILES

C1=CC=C(C=C1)NC2=N[N+](=C(S2)/C=C/C3=CC=C(C=C3)F)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H17FN3S.ClH/c23-18-14-11-17(12-15-18)13-16-21-26(20-9-5-2-6-10-20)25-22(27-21)24-19-7-3-1-4-8-19;/h1-16H,(H,24,25);1H/q+1;/p-1/b16-13+;

InChIKey

GLQRUQJJAJQPQX-ZUQRMPMESA-M

Chemical Structure

2D Structure

CAS: 346460-45-5

CID: 12078623

Formula: C22H17ClFN3S

MW: 409.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	409.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	409.0815746
Monoisotopic Mass	409.0815746
Topological Polar Surface Area	57 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	468
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
HY-169504	MI-4F
T209809-01	4F-DDC
T19385-01	ITIC-4F
MBS7043314-01	Semaphorin-4F
ABL-TC0421	MOLT-4F
JH918524	IEICO-4F
sc-215569A	NIR 4f
HY-137294-01	BTPTT-4F
HY-173387	4F-Docetaxel
299242	Semaphorin 4F

MI-4F

Chemical Information

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