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Fluorobenzenes

Organic compounds considered aryl halides that consist of a phenyl group with a fluorine atom substitution in the following structure: C₆H₅F.

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1

Pentafluoroaniline, 97%

CAS: 771-60-8 Molecular Formula: C6H2F5N Molecular Weight (g/mol): 183.08 MDL Number: MFCD00007643 InChI Key: NOXLGCOSAFGMDV-UHFFFAOYSA-N Synonym: pentafluoroaniline,pentafluorophenylamine,aminopentafluorobenzene,benzenamine, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzenamine,aniline, 2,3,4,5,6-pentafluoro,unii-ms06il3y2q,ms06il3y2q,2,3,4,5,6-pentafluorophenylamine,pubchem1546 PubChem CID: 13040 SMILES: NC1=C(F)C(F)=C(F)C(F)=C1F

PubChem CID 13040
CAS 771-60-8
Molecular Weight (g/mol) 183.08
MDL Number MFCD00007643
SMILES NC1=C(F)C(F)=C(F)C(F)=C1F
Synonym pentafluoroaniline,pentafluorophenylamine,aminopentafluorobenzene,benzenamine, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzenamine,aniline, 2,3,4,5,6-pentafluoro,unii-ms06il3y2q,ms06il3y2q,2,3,4,5,6-pentafluorophenylamine,pubchem1546
InChI Key NOXLGCOSAFGMDV-UHFFFAOYSA-N
Molecular Formula C6H2F5N
2

2-Fluorobenzonitrile, 99%

CAS: 394-47-8 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001773 InChI Key: GDHXJNRAJRCGMX-UHFFFAOYSA-N Synonym: o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene PubChem CID: 67855 IUPAC Name: 2-fluorobenzonitrile SMILES: FC1=CC=CC=C1C#N

PubChem CID 67855
CAS 394-47-8
Molecular Weight (g/mol) 121.11
MDL Number MFCD00001773
SMILES FC1=CC=CC=C1C#N
Synonym o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene
IUPAC Name 2-fluorobenzonitrile
InChI Key GDHXJNRAJRCGMX-UHFFFAOYSA-N
Molecular Formula C7H4FN
3

3-Bromofluorobenzene, 99%

CAS: 1073-06-9 Molecular Formula: C6H4BrF Molecular Weight (g/mol): 175 MDL Number: MFCD00000326 InChI Key: QDFKKJYEIFBEFC-UHFFFAOYSA-N Synonym: 3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo PubChem CID: 14082 IUPAC Name: 1-bromo-3-fluorobenzene SMILES: C1=CC(=CC(=C1)Br)F

PubChem CID 14082
CAS 1073-06-9
Molecular Weight (g/mol) 175
MDL Number MFCD00000326
SMILES C1=CC(=CC(=C1)Br)F
Synonym 3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo
IUPAC Name 1-bromo-3-fluorobenzene
InChI Key QDFKKJYEIFBEFC-UHFFFAOYSA-N
Molecular Formula C6H4BrF
4

1-Bromo-2,4-difluorobenzene, 98+%

CAS: 348-57-2 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00000330 InChI Key: MGHBDQZXPCTTIH-UHFFFAOYSA-N Synonym: 2,4-difluorobromobenzene,benzene, 1-bromo-2,4-difluoro,1-bromo-2,4-difluoro-benzene,bromo-2,4-difluorobenzene,2,4-difluoro-1-bromobenzene,attercop-chm at130629,fr cf de,pubchem2301,2.4-difluorobromobenzene,acmc-1adm3 PubChem CID: 67674 IUPAC Name: 1-bromo-2,4-difluorobenzene SMILES: FC1=CC=C(Br)C(F)=C1

PubChem CID 67674
CAS 348-57-2
Molecular Weight (g/mol) 192.99
MDL Number MFCD00000330
SMILES FC1=CC=C(Br)C(F)=C1
Synonym 2,4-difluorobromobenzene,benzene, 1-bromo-2,4-difluoro,1-bromo-2,4-difluoro-benzene,bromo-2,4-difluorobenzene,2,4-difluoro-1-bromobenzene,attercop-chm at130629,fr cf de,pubchem2301,2.4-difluorobromobenzene,acmc-1adm3
IUPAC Name 1-bromo-2,4-difluorobenzene
InChI Key MGHBDQZXPCTTIH-UHFFFAOYSA-N
Molecular Formula C6H3BrF2
5

Pyridone 6, MedChemExpress

MedChemExpress Pyridone 6 is a pan-JAK inhibitor, which potently inhibits the JAK kinase family, with IC50s of 1 nM for JAK2 and TYK2, 5 nM for JAK3, and 15 nM for JAK1, while displaying significantly weaker affinities (130 nM to >10 mM) for other protein tyrosine kinases.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 309.34
Color Brown
Physical Form Solid
Chemical Name or Material Pyridone 6
Grade Research
SMILES FC1=CC2=C(C(NC=C3)=O)C3=C(N=C(C(C)(C)C)N4)C4=C2C=C1
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.84%
CAS 457081-03-7
Solubility Information DMSO : ≥ 100 mg/mL (323.27 mM)
Health Hazard 1 H315∣H319∣H335
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C18H16FN3O
Formula Weight 309.34
6

Q-VD-OPh, MedChemExpress

MedChemExpress Q-VD-OPh is an irreversible pan-caspase inhibitor with potent antiapoptotic properties; inhibits caspase 7 with an IC50 of 48 nM and 25-400 nM for other caspases including caspase 1, 3, 8, 9, 10, and 12. Q-VD-OPh can inhibits HIV infection. Q-VD-OPh is able to cross the blood-brain barrier.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 513.49
Color White
Physical Form Powder
Chemical Name or Material Q-VD-OPh
Grade Research
SMILES O=C(O)C[C@H](NC([C@@H](NC(C1=NC2=CC=CC=C2C=C1)=O)C(C)C)=O)C(COC3=C(F)C=CC=C3F)=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.04%
CAS 1135695-98-5
Solubility Information DMSO : 100 mg/mL (194.75 mM; Need ultrasonic)
Health Hazard 1 H302∣H315∣H319∣H335
Synonym QVD-OPH Quinoline-Val-Asp-Difluorophenoxymethylketone
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C26H25F2N3O6
Formula Weight 513.49
7

LY 344864 S-enantiomer, MedChemExpress

MedChemExpress LY 344864 S-enantiomer is the S-enantiomer of LY344864. LY344864 is a 5-HT1F receptor agonist.

ENCOMPASS_PREFERRED
Percent Purity 98.0%
CAS 186544-27-4
Molecular Weight (g/mol) 351.42
Color Light Yellow
Physical Form Solid
Chemical Name or Material LY 344864 S-enantiomer
Grade Research
SMILES O=C(NC1=CC2=C(NC3=C2C[C@@H](N(C)C)CC3)C=C1)C4=CC=C(F)C=C4
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C21H22FN3O
Formula Weight 351.42
8

Emricasan, MedChemExpress

MedChemExpress Emricasan (PF 03491390) is an orally active and irreversible pan-caspase inhibitor. Emricasan inhibits Zika virus (ZIKV)-induced increases in caspase-3 activity and protected human cortical neural progenitors.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 569.5
Color White
Physical Form Solid
Chemical Name or Material Emricasan
Grade Research
SMILES FC1=C(C(F)=C(C=C1F)F)OCC([C@@H](NC([C@@H](NC(C(NC2=C(C=CC=C2)C(C)(C)C)=O)=O)C)=O)CC(O)=O)=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.04%
CAS 254750-02-2
Solubility Information DMSO : 100 mg/mL (175.59 mM; Need ultrasonic)
Health Hazard 1 H302∣H315∣H319∣H335
Synonym PF 03491390 IDN-6556
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C26H27F4N3O7
Formula Weight 569.5
9

Rimacalib, MedChemExpress

MedChemExpress Rimacalib (SMP 114) is a Ca2+/calmodulin-dependent protein kinase II (CaMKII) inhibitor, with IC50s of ∼1 μM for CaMKIIα to ∼30 μM for CaMKIIγ.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 394.44
Color Pink
Physical Form Solid
Chemical Name or Material Rimacalib
Grade Research
SMILES N=C(N1CCOCC1)NC2=CC([C@H](C3=CC=C(C4=CC=CC=C4)C(F)=C3)C)=NO2
For Use With (Application) Metabolism-protein/nucleotide metabolism
Percent Purity 99.65%
CAS 215174-50-8
Solubility Information DMSO : 125 mg/mL (316.90 mM; Need ultrasonic)
Synonym SMP 114
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C22H23FN4O2
Formula Weight 394.44
10

(Rac)-GSK547, MedChemExpress

MedChemExpress (Rac)-GSK547 is the racemate of GSK547. GSK547 is a highly selective and potent inhibitor of receptor-interacting serine/threonine protein kinase 1 (RIP1), inhibits macrophage-mediated adaptive immune tolerance in pancreatic cancer.

ENCOMPASS_PREFERRED
11

DAAO inhibitor-1, MedChemExpress

MedChemExpress DAAO inhibitor-1 is a potent D-amino acid oxidase (DAAO) inhibitor with an IC50 of 0.12 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 152.13
Color Light Yellow
Physical Form Solid
Chemical Name or Material DAAO inhibitor-1
Grade Research
SMILES FC1=CC=C2C(NN=C2O)=C1
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 99.37%
CAS 2065250-25-9
Solubility Information DMSO : 125 mg/mL (821.67 mM; Need ultrasonic)
Health Hazard 1 H302∣H315∣H319∣H335
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C7H5FN2O
Formula Weight 152.13
12

(Rac)-PT2399, MedChemExpress

MedChemExpress (Rac)-PT2399 (Compound 10e), the racemate of PT2399, acts as a potent and specific hypoxia-inducible factor 2a (HIF-2α) inhibitor with an IC50 of 0.01 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 419.32
Color White
Physical Form Solid
Chemical Name or Material (Rac)-PT2399
Grade Research
SMILES N#CC1=CC(F)=CC(OC2=CC=C(S(=O)(C(F)F)=O)C3=C2CC(F)(F)C3O)=C1
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 99.93%
CAS 1672662-07-5
Solubility Information DMSO : 120 mg/mL (286.18 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C17H10F5NO4S
Formula Weight 419.32
13

Epsilon-momfluorothrin, MedChemExpress

MedChemExpress Epsilon-momfluorothrin is a type I synthetic pyrethroid insecticide, activates constitutive androstane receptor (CAR), and induces hepatocellular tumors in rats.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 385.35
Color White
Physical Form Solid
Chemical Name or Material Epsilon-momfluorothrin
Grade Research
SMILES O=C([C@H]1C(C)(C)[C@@H]1/C=C(C#N)/C)OCC2=C(F)C(F)=C(COC)C(F)=C2F
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 95.0%
CAS 1065124-65-3
Solubility Information DMSO : 5 mg/mL (12.98 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C19H19F4NO3
Formula Weight 385.35
14

TM-N1324, MedChemExpress

MedChemExpress TM-N1324 is an agonist of G-Protein-Coupled Receptor 39 (GPR39) with EC50s of 9 nM/5 nM in the presence of Zn2+, and 280 nM/180 nM in the absence of Zn2+ for human/murine GPR39.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 397.79
Color White
Physical Form Solid
Chemical Name or Material TM-N1324
Grade Research
SMILES O=C1CC(C2=CC=C(F)C=C2Cl)C3=C(N(C4=C5N=CNC5=NC=N4)N=C3C)N1
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 99.88%
CAS 1144477-35-9
Solubility Information DMSO : 12.22 mg/mL (30.72 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C18H13ClFN7O
Formula Weight 397.79
15

Apararenone, MedChemExpress

MedChemExpress Apararenone (MT-3995) is a novel non-steroidal mineralocorticoid receptor antagonists under development for the treatment of diabetic nephropathies and non-alcoholic steatohepatitis.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 364.39
Color White
Physical Form Solid
Chemical Name or Material Apararenone
Grade Research
SMILES O=C1N(C2=CC=C(F)C=C2)C3=CC=C(NS(C)(=O)=O)C=C3OC1(C)C
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.98%
CAS 945966-46-1
Solubility Information DMSO : ≥ 125 mg/mL (343.04 mM)
Synonym MT-3995
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C17H17FN2O4S
Formula Weight 364.39