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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Aminobenzoic acids and derivatives (3)
Aminotoluenes (13)
Aniline and substituted anilines (7)
Benzoyl derivatives (2)
Bromobenzenes (3)
Diphenylmethanes (10)
Fluorobenzenes (16)
Methoxybenzenes (4)
Nitrobenzenes (12)
Nitrotoluenes (16)
Phenoxy compounds (15)
Phenylmethylamines (2)
Styrenes (3)
Trifluoromethylbenzenes (2)
Benzyl Derivatives (24)

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Keyword Search:
1 – 15 of 49 results
1

Miconazole Free Base MP Biomedicals

CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N Synonym: miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm PubChem CID: 4189 ChEBI: CHEBI:82892 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1

PubChem CID 4189
CAS 22916-47-8
Molecular Weight (g/mol) 416.12
ChEBI CHEBI:82892
MDL Number MFCD00216019
SMILES ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
Synonym miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm
IUPAC Name 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole
InChI Key BYBLEWFAAKGYCD-UHFFFAOYNA-N
Molecular Formula C18H14Cl4N2O
3

o-Dianisidine, free base, 99.9%, MP Biomedicals™

CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

PubChem CID 8411
CAS 119-90-4
Molecular Weight (g/mol) 244.294
ChEBI CHEBI:82321
SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Synonym 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b
IUPAC Name 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
InChI Key JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula C14H16N2O2
5

Benzyl Alcohol, puriss., Honeywell
BIOPHARMA

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
7
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Anisole, ReagentPlus™, 99%, Honeywell™

CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00008354 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

PubChem CID 7519
CAS 100-66-3
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:16579
MDL Number MFCD00008354
SMILES COC1=CC=CC=C1
Synonym methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name anisole
InChI Key RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula C7H8O
8

Benzyl Alcohol, puriss., 99 to 100.5% (GC), Honeywell Riedel-de Haën™
BIOPHARMA

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
9
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Benzyl alcohol, Puriss. p.a., ACS reagent, ≥99.0% (GC), Honeywell Riedel-de Haën™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
10

AZD3839 free base, MedChemExpress

MedChemExpress AZD3839 free base is a potent and selective orally active, brain-permeable BACE1 inhibitor (Ki=26 nM).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 431.41
Color White
Physical Form Solid
Chemical Name or Material AZD3839 free base
Grade Research
SMILES FC1=C2C([C@](C3=CC=CC(C4=CN=CN=C4)=C3)(C5=CC(C(F)F)=NC=C5)N=C2N)=CC=C1
For Use With (Application) Cancer-programmed cell death
Percent Purity 99.89%
CAS 1227163-84-9
Solubility Information DMSO : 125 mg/mL (289.75 mM; Need ultrasonic)
Health Hazard 1 H302
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 C24H16F3N5
Formula Weight 431.41
11

R406 free base, MedChemExpress

MedChemExpress R406 free base is an orally available and competitive Syk/FLT3 inhibitor for ATP binding with a Ki of 30 nM, potently inhibits Syk kinase activity in vitro with an IC50 of 41 nM, measured at an ATP concentration corresponding to its Km value. R406 free base reduces immune complex-mediated inflammation. R406 free base also inhibits Lyn (IC50=63 nM) and Lck (IC50=37 nM).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 470.45
Color Light Yellow
Physical Form Solid
Chemical Name or Material R406 free base
Grade Research
SMILES COC1=CC(NC2=NC(NC3=NC(N4)=C(C=C3)OC(C)(C)C4=O)=C(C=N2)F)=CC(OC)=C1OC
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.15%
CAS 841290-80-0
Solubility Information DMSO : ≥ 10 mg/mL (21.26 mM)
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 C22H23FN6O5
Formula Weight 470.45
12

YHO-13351 free base, MedChemExpress

MedChemExpress YHO-13351 free base is the prodrug of YHO-13177, which is a potent and specific inhibitor of BCRP.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 483.62
Color Orange
Physical Form Solid
Chemical Name or Material YHO-13351 free base
Grade Research
SMILES N#C/C(C1=CC=C(OC)C(OC)=C1)=C\C2=CC=C(N3CCC(OC(CN(CC)CC)=O)CC3)S2
For Use With (Application) Cancer-programmed cell death
Percent Purity 99.0%
CAS 912288-64-3
Solubility Information DMSO : 100 mg/mL (206.77 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 C26H33N3O4S
Formula Weight 483.62
13

Genz-123346 free base, MedChemExpress

MedChemExpress Genz-123346 (free base) is an inhibitor of GL1 synthase that blocks the conversion of ceramide to GL1; inhibits GM1 with IC50 value of 14 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 418.57
Color White
Physical Form Solid
Chemical Name or Material Genz-123346 free base
Grade Research
SMILES CCCCCCCCC(N[C@H](CN1CCCC1)[C@@H](C2=CC=C(OCCO3)C3=C2)O)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.0%
CAS 491833-30-8
Solubility Information DMSO : ≥ 100 mg/mL (238.91 mM)
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 C24H38N2O4
Formula Weight 418.57
14

Gefitinib-based PROTAC 3, MedChemExpress

MedChemExpress Gefitinib-based PROTAC 3, conjugating an EGFR binding element to a von Hippel-Lindau ligand via a linker, induces EGFR degradation with DC50s of 11.7 nM and 22.3 nM in HCC827(exon 19 del) and H3255 (L858R mutantion) cells, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 934.51
Color White
Physical Form Solid
Chemical Name or Material Gefitinib-based PROTAC 3
Grade Research
SMILES O=C([C@H]1N(C([C@@H](NC(CCOCCOCCCCCOC2=CC3=C(NC4=CC=C(F)C(Cl)=C4)N=CN=C3C=C2OC)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC5=CC=C(C6=C(C)N=CS6)C=C5
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.24%
CAS 2230821-27-7
Solubility Information DMSO : ≥ 60 mg/mL (64.20 mM)
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture and light∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture and light)
Shelf Life 4°C, sealed storage, away from moisture and light∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture and light)
Molecular Formula C47H57ClFN7O8S
Formula Weight 934.51
15

AV-412 free base, MedChemExpress

MedChemExpress AV-412 free base (MP-412 free base) is an EGFR inhibitor with IC50s of 0.75, 0.5, 0.79, 2.3, 19 nM for EGFR, EGFRL858R, EGFRT790M, EGFRL858R/T790M and ErbB2, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 507.0
Color Yellow
Physical Form Solid
Chemical Name or Material AV-412 free base
Grade Research
SMILES O=C(C=C)NC1=CC2=C(NC3=CC=C(C(Cl)=C3)F)N=CN=C2C=C1C#CC(C)(C)N(CC4)CCN4C
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.33%
CAS 451492-95-8
Solubility Information DMSO : 50 mg/mL (98.62 mM; Need ultrasonic)
Synonym MP-412 free base
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 C27H28ClFN6O
Formula Weight 507.0