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Bioactive Small Molecules

A vast array of small, non-peptide, organic compounds that are biologically active. Products include receptor antagonists, molecular probes, metabolites, GPCR ligands, neurotransmitters, ion channel modulators, and signaling activators and inhibitors.
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1 – 11 of 11 results
1

Iniparib, Thermo Scientific™

CAS: 160003-66-7 Molecular Formula: C7 H5 I N2 O3

CAS 160003-66-7
Molecular Formula C7 H5 I N2 O3
2

Pleconaril, Thermo Scientific™

CAS: 153168-05-9 Molecular Formula: C18 H18 F3 N3 O3 Molecular Weight (g/mol): 381.36 MDL Number: MFCD00923611 InChI Key: KQOXLKOJHVFTRN-UHFFFAOYSA-N IUPAC Name: 3-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole SMILES: CC1=NOC(CCCOC2=C(C)C=C(C=C2C)C2=NOC(=N2)C(F)(F)F)=C1

CAS 153168-05-9
Molecular Weight (g/mol) 381.36
MDL Number MFCD00923611
SMILES CC1=NOC(CCCOC2=C(C)C=C(C=C2C)C2=NOC(=N2)C(F)(F)F)=C1
IUPAC Name 3-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole
InChI Key KQOXLKOJHVFTRN-UHFFFAOYSA-N
Molecular Formula C18 H18 F3 N3 O3
3

Acipimox, Thermo Scientific™

CAS: 51037-30-0 Molecular Formula: C6 H6 N2 O3

CAS 51037-30-0
Molecular Formula C6 H6 N2 O3
4

Catalpol, Thermo Scientific™

CAS: 2415-24-9 Molecular Formula: C15 H22 O10 Molecular Weight (g/mol): 362.33 MDL Number: MFCD11111524 InChI Key: LHDWRKICQLTVDL-PZYDOOQISA-N IUPAC Name: (2S,3R,4S,5S,6R)-2-{[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O

CAS 2415-24-9
Molecular Weight (g/mol) 362.33
MDL Number MFCD11111524
SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O
IUPAC Name (2S,3R,4S,5S,6R)-2-{[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key LHDWRKICQLTVDL-PZYDOOQISA-N
Molecular Formula C15 H22 O10
5

Amentoflavone, Thermo Scientific™

CAS: 1617-53-4 Molecular Formula: C30 H18 O10 Molecular Weight (g/mol): 538.46 InChI Key: YUSWMAULDXZHPY-UHFFFAOYSA-N IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one SMILES: OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

CAS 1617-53-4
Molecular Weight (g/mol) 538.46
SMILES OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
IUPAC Name 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
InChI Key YUSWMAULDXZHPY-UHFFFAOYSA-N
Molecular Formula C30 H18 O10
6

Carfilzomib, Thermo Scientific™

CAS: 868540-17-4 Molecular Formula: C40 H57 N5 O7 Molecular Weight (g/mol): 719.92 MDL Number: MFCD11040997 InChI Key: BLMPQMFVWMYDKT-UHFFFAOYNA-N IUPAC Name: 4-methyl-N-(1-{[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl)-2-{2-[2-(morpholin-4-yl)acetamido]-4-phenylbutanamido}pentanamide SMILES: CC(C)CC(NC(=O)C(CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1

CAS 868540-17-4
Molecular Weight (g/mol) 719.92
MDL Number MFCD11040997
SMILES CC(C)CC(NC(=O)C(CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
IUPAC Name 4-methyl-N-(1-{[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl)-2-{2-[2-(morpholin-4-yl)acetamido]-4-phenylbutanamido}pentanamide
InChI Key BLMPQMFVWMYDKT-UHFFFAOYNA-N
Molecular Formula C40 H57 N5 O7
7

Pritelivir, Thermo Scientific™

CAS: 348086-71-5 Molecular Formula: C18 H18 N4 O3 S2 Molecular Weight (g/mol): 402.49 MDL Number: MFCD18633192 InChI Key: IVZKZONQVYTCKC-UHFFFAOYSA-N IUPAC Name: N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide SMILES: CN(C(=O)CC1=CC=C(C=C1)C1=CC=CC=N1)C1=NC(C)=C(S1)S(N)(=O)=O

CAS 348086-71-5
Molecular Weight (g/mol) 402.49
MDL Number MFCD18633192
SMILES CN(C(=O)CC1=CC=C(C=C1)C1=CC=CC=N1)C1=NC(C)=C(S1)S(N)(=O)=O
IUPAC Name N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide
InChI Key IVZKZONQVYTCKC-UHFFFAOYSA-N
Molecular Formula C18 H18 N4 O3 S2
8

Veliparib, Thermo Scientific™

CAS: 912444-00-9 Molecular Formula: C13 H16 N4O Molecular Weight (g/mol): 244.30 MDL Number: MFCD16661059 InChI Key: JNAHVYVRKWKWKQ-UHFFFAOYNA-N IUPAC Name: 2-(2-methylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide SMILES: CC1(CCCN1)C1=NC2=C(C=CC=C2N1)C(N)=O

CAS 912444-00-9
Molecular Weight (g/mol) 244.30
MDL Number MFCD16661059
SMILES CC1(CCCN1)C1=NC2=C(C=CC=C2N1)C(N)=O
IUPAC Name 2-(2-methylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
InChI Key JNAHVYVRKWKWKQ-UHFFFAOYNA-N
Molecular Formula C13 H16 N4O
9

Palmatine chloride, 97%, Thermo Scientific™

CAS: 10605-02-4 Molecular Formula: C21 H22 Cl N O4

CAS 10605-02-4
Molecular Formula C21 H22 Cl N O4
10

Astragaloside IV, Thermo Scientific™

CAS: 84687-43-4 Molecular Formula: C41 H68 O14

CAS 84687-43-4
Molecular Formula C41 H68 O14
11

Canertinib dihydrochloride, Thermo Scientific™

CAS: 289499-45-2 Molecular Formula: C24 H25 Cl F N5 O3 · 2 H Cl

CAS 289499-45-2
Molecular Formula C24 H25 Cl F N5 O3 · 2 H Cl