N-(2-{2-[(dipropylamino)methyl]piperidin-1-yl}ethyl)-10-oxo-2,4,9-triazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-2-carboxamide

Compound number:
MolPort-003-983-506
CAS number: 118290-26-9; 118290-27-0
IUPAC:
N-(2-{2-[(dipropylamino)methyl]piperidin-1-yl}ethyl)-10-oxo-2,4,9-triazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-2-carboxamide
IUPAC traditional:
N-(2-{2-[(dipropylamino)methyl]piperidin-1-yl}ethyl)-10-oxo-2,4,9-triazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-2-carboxamide
SMILES:
CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
InChI key:
MZDYABXXPZNUCT-UHFFFAOYSA-N
Molecular formula:
C27H38N6O2
Molecular weight: 478.641
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >98%
Last updated: this month In warehouse: Unverified
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10 mg October 25, 2019 171.10 USD
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50 mg October 25, 2019 660.80 USD
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Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: > 99%
Last updated: > 3 months ago In warehouse: Unverified
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10 mg November 1, 2019 222.51 USD
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More Information

Compound Identifiers
Compound number: MolPort-003-983-506
CAS number: 118290-26-9; 118290-27-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000022442744
ZINC000022454208
MFCD00884624
AF-DX 384
N-[2-[2-[(DipropylaMino)Methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxaMide
N-(2-{2-[(dipropylamino)methyl]piperidin-1-yl}ethyl)-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
N-(2-(2-((Dipropylamino)methyl)piperidin-1-yl)ethyl)-6-oxo-5H-benzo[e]pyrido[3,2-b][1,4]diazepine-11(6H)-carboxamide

InChI
InChI: 1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
InChI key: MZDYABXXPZNUCT-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C27H38N6O2
Molecular weight: 478.641

Other

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2019 MolPort, v3.22, release date 14-10-2019 15:00 (+0200). All rights reserved.
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