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Phenoxy compounds

Organic compounds that have one or more phenyl groups that are bonded to an oxygen with a radical electron; includes compounds with additional substitutions.

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1

(4S3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-2-oxazolidinone, TRC

CAS: 272778-12-8 Molecular Formula: C39 H46 F2 N2 O5 Si2 Molecular Weight (g/mol): 716.961 Synonym: (4S3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-2-oxazolidinone,2-Oxazolidinone, 3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-, (4S)- (9CI, ACI),(4S)-3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(tri IUPAC Name: (4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one SMILES: O=C1OCC(C=2C=CC=CC2)N1C(=O)C(CCC(O[Si](C)(C)C)C3=CC=C(F)C=C3)C(NC4=CC=C(F)C=C4)C5=CC=C(O[Si](C)(C)C)C=C5

CAS 272778-12-8
Molecular Weight (g/mol) 716.961
SMILES O=C1OCC(C=2C=CC=CC2)N1C(=O)C(CCC(O[Si](C)(C)C)C3=CC=C(F)C=C3)C(NC4=CC=C(F)C=C4)C5=CC=C(O[Si](C)(C)C)C=C5
Synonym (4S3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-2-oxazolidinone,2-Oxazolidinone, 3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(trimethylsilyl)oxy]phenyl]methyl]-1-oxo-5-[(trimethylsilyl)oxy]pentyl]-4-phenyl-, (4S)- (9CI, ACI),(4S)-3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino][4-[(tri
IUPAC Name (4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-trimethylsilyloxyphenyl)methyl]-5-(4-fluorophenyl)-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
Molecular Formula C39 H46 F2 N2 O5 Si2
2

S 38093, MedChemExpress

MedChemExpress S 38093 is a brain-penetrant, orally active antagonist of H3 receptor, with Kis of 8.8, 1.44 and 1.2 μM for rat, mouse and human H3 receptors, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 288.38
Color White
Physical Form Solid
Chemical Name or Material S 38093
Grade Research
SMILES O=C(N)C1=CC=C(OCCCN2CC3C(CCC3)C2)C=C1
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 99.84%
CAS 862896-30-8
Solubility Information DMSO : 2 mg/mL (6.94 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 C17H24N2O2
Formula Weight 288.38
3

Veledimex (S enantiomer), MedChemExpress

MedChemExpress Veledimex S enantiomer (INXN-1001 S enantiomer) is the S enantiomer of veledimex. Veledimex is an oral activator ligand for a proprietary gene therapy promoter system, and a moderate inhibitor of and substrate for CYP3A4/5.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 438.6
Color Light Yellow
Physical Form Solid
Chemical Name or Material Veledimex (S enantiomer)
Grade Research
SMILES O=C(NN(C(C1=CC(C)=CC(C)=C1)=O)[C@H](C(C)(C)C)CCC)C2=CC=CC(OC)=C2CC
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.17%
CAS 1093131-03-3
Synonym INXN-1001 (S enantiomer) RG-115932 (S enantiomer)
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 C27H38N2O3
Formula Weight 438.6
4

Firsocostat (S enantiomer), MedChemExpress

MedChemExpress Firsocostat S enantiomer (ND-630 S enantiomer) is the less active S enantiomer of Firsocostat. Firsocostat is an acetyl-CoA carboxylase (ACC) inhibitor.

ENCOMPASS_PREFERRED
5

TC-S 7005, MedChemExpress

MedChemExpress TC-S 7005 is a Polo-like kinases (Plks) inhibitor with IC50s of 4 nM, 24 nM and 214 nM for Plk2, Plk3, and Plk1, respectively.

ENCOMPASS_PREFERRED
6

2,4,6-Triphenoxy-1,3,5-triazine, 96%, Thermo Scientific Chemicals

CAS: 1919-48-8 Molecular Formula: C21H15N3O3 Molecular Weight (g/mol): 357.37 MDL Number: MFCD00006048 InChI Key: IYDYVVVAQKFGBS-UHFFFAOYSA-N PubChem CID: 15973 IUPAC Name: 2,4,6-triphenoxy-1,3,5-triazine SMILES: O(C1=CC=CC=C1)C1=NC(OC2=CC=CC=C2)=NC(OC2=CC=CC=C2)=N1

PubChem CID 15973
CAS 1919-48-8
Molecular Weight (g/mol) 357.37
MDL Number MFCD00006048
SMILES O(C1=CC=CC=C1)C1=NC(OC2=CC=CC=C2)=NC(OC2=CC=CC=C2)=N1
IUPAC Name 2,4,6-triphenoxy-1,3,5-triazine
InChI Key IYDYVVVAQKFGBS-UHFFFAOYSA-N
Molecular Formula C21H15N3O3
7

4-n-Decyloxybenzoic acid, 96%

CAS: 5519-23-3 Molecular Formula: C17H26O3 Molecular Weight (g/mol): 278.392 MDL Number: MFCD00020360 InChI Key: NZNICZRIRMGOFG-UHFFFAOYSA-N PubChem CID: 138527 IUPAC Name: 4-decoxybenzoic acid SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

PubChem CID 138527
CAS 5519-23-3
Molecular Weight (g/mol) 278.392
MDL Number MFCD00020360
SMILES CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O
IUPAC Name 4-decoxybenzoic acid
InChI Key NZNICZRIRMGOFG-UHFFFAOYSA-N
Molecular Formula C17H26O3
8

Phenyl chlorothionocarbonate, 99%

CAS: 1005-56-7 Molecular Formula: C7H5ClOS Molecular Weight (g/mol): 172.63 MDL Number: MFCD00004920 InChI Key: KOSYAAIZOGNATQ-UHFFFAOYSA-N Synonym: o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate PubChem CID: 70498 IUPAC Name: O-phenyl chloromethanethioate SMILES: ClC(=S)OC1=CC=CC=C1

PubChem CID 70498
CAS 1005-56-7
Molecular Weight (g/mol) 172.63
MDL Number MFCD00004920
SMILES ClC(=S)OC1=CC=CC=C1
Synonym o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate
IUPAC Name O-phenyl chloromethanethioate
InChI Key KOSYAAIZOGNATQ-UHFFFAOYSA-N
Molecular Formula C7H5ClOS
9

Pyributicarb, MedChemExpress

MedChemExpress Pyributicarb, a carbamate-type herbicide, is a potent activator of both CYP3A4 gene and human pregnane X receptor (hPXR).

ENCOMPASS_PREFERRED
10

Amuvatinib, MedChemExpress

MedChemExpress Amuvatinib (MP470) is an orally bioavailable multi-targeted tyrosine kinase inhibitor with potent activity against mutant c-Kit, PDGFRα, Flt3, c-Met and c-Ret. Amuvatinib (MP470) is also a DNA repair suppressor through suppression of DNA repair protein RAD51, thereby disrupting DNA damage repair. Antineoplastic activity.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 447.51
Color Off-White
Physical Form Solid
Chemical Name or Material Amuvatinib
Grade Research
SMILES S=C(N1CCN(C2=C3OC4=CC=CC=C4C3=NC=N2)CC1)NCC5=CC=C6OCOC6=C5
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.07%
CAS 850879-09-3
Solubility Information DMSO : 50 mg/mL (111.73 mM; Need ultrasonic)
Synonym MP470 HPK 56
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 C23H21N5O3S
Formula Weight 447.51
11

RIP2 kinase inhibitor 2, MedChemExpress

MedChemExpress RIP2 kinase inhibitor 2 is a receptor interacting protein-2 (RIP2) kinase inhibitor extracted from patent WO/2014043437 A1, compound example 9.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 432.54
Color Light Yellow
Physical Form Solid
Chemical Name or Material RIP2 kinase inhibitor 2
Grade Research
SMILES CC(C)(C)S(C1=C(OCCOC)C=C(N=CC=C2NC3=NNC(C)=C3C)C2=C1)(=O)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 99.16%
CAS 1581270-11-2
Solubility Information DMSO : 5 mg/mL (11.56 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 C21H28N4O4S
Formula Weight 432.54
12

GSK2983559 active metabolite, MedChemExpress

MedChemExpress GSK2983559 active metabolite is an active metabolite of GSK2983559. GSK2983559 active metabolite is a receptor interacting protein-2 (RIP2) kinase inhibitor extracted from patent WO/2014043446 A1, compound example 1.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 458.55
Color Gray
Physical Form Solid
Chemical Name or Material GSK2983559 active metabolite
Grade Research
SMILES CC(C)(C)S(C1=C(OCCO)C=C(N=CN=C2NC3=CC(N=CS4)=C4C=C3)C2=C1)(=O)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.24%
CAS 1423186-80-4
Solubility Information DMSO : 25 mg/mL (54.52 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 C21H22N4O4S2
Formula Weight 458.55
13

DO-264, MedChemExpress

MedChemExpress DO-264 is a selective and in vivo-active inhibitor of Abhydrolase Domain Containing 12 (ABHD12), with an IC50 of 11 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 558.4
Color Off-White
Physical Form Solid
Chemical Name or Material DO-264
Grade Research
SMILES S=C(NC1=CC=CN=C1)NC2CCN(C3=NC=CC(OC4=CC=C(OC(F)(F)F)C=C4Cl)=C3Cl)CC2
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 98.81%
CAS 2301866-59-9
Solubility Information DMSO : ≥ 100 mg/mL (179.08 mM)
Purity Grade Notes Research
Recommended Storage -20°C, stored under nitrogen∣In solvent : -80°C, 6 months∣-20°C, 1 month (stored under nitrogen)
Shelf Life -20°C, stored under nitrogen∣In solvent : -80°C, 6 months∣-20°C, 1 month (stored under nitrogen)
Molecular Formula C23H20Cl2F3N5O2S
Formula Weight 558.4
14

Suplatast (Tosilate), MedChemExpress

MedChemExpress Suplatast Tosilate (IPD 1151T) is an orally active Th2 cytokine inhibitor which can inhibit both IL-4 and IL-5 production from Th2 cells and suppress IgE synthesis. Suplatast Tosilate is an anti-allergic agent. Suplatast Tosilate has antiasthmatic, anti-inflammatory and antifibrotic activity.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 499.64
Color White
Physical Form Solid
Chemical Name or Material Suplatast (Tosilate)
Grade Research
SMILES C[S+](C)CCC(NC1=CC=C(C=C1)OCC(COCC)O)=O.CC2=CC=C(C=C2)S(=O)([O-])=O
For Use With (Application) COVID-19-immunoregulation
Percent Purity 95.0%
CAS 94055-76-2
Solubility Information DMSO : ≥ 33 mg/mL (66.05 mM)
Health Hazard 1 H302∣H315∣H319∣H335
Synonym IPD 1151T
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C23H33NO7S2
Formula Weight 499.64
15

Rigosertib, MedChemExpress

MedChemExpress Rigosertib (ON-01910) is a multi-kinase inhibitor and a selective anti-cancer agent, which induces apoptosis by inhibition the PI3 kinase/Akt pathway, promots the phosphorylation of histone H2AX and induces G2/M arrest in cell cycle. Rigosertib is a selective and non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 451.49
Color Yellow
Physical Form Solid
Chemical Name or Material Rigosertib
Grade Research
SMILES COC1=CC=C(C=C1NCC(O)=O)CS(/C=C/C2=C(C=C(C=C2OC)OC)OC)(=O)=O.[(E)]
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.0%
CAS 592542-59-1
Solubility Information DMSO : 75 mg/mL (166.12 mM; Need ultrasonic)
Synonym ON-01910
Purity Grade Notes Research
Recommended Storage -20°C, stored under nitrogen∣The compound is unstable in solutions, freshly prepared is recommended.
Shelf Life -20°C, stored under nitrogen∣The compound is unstable in solutions, freshly prepared is recommended.
Molecular Formula C21H25NO8S
Formula Weight 451.49