C519-1417 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-6-(piperidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide

C519-1417 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-6-(piperidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide
C519-1417 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-6-(piperidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-1417
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-6-(piperidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C519-1417

Molecular Formula

C27H33N3O6S (C27 H33 N3 O6 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-6-(piperidine-1-sulfonyl)-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-6-(piperidine-1-sulfonyl)-14-dihydroquinoline-3-carboxamide

SMILES

CCN(C=C1C(NCCc(cc2)cc(OC)c2OC)=O)c(ccc(S(N2CCCCC2)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C27H33N3O6S/c1-4-29-18-22(27(32)28-13-12-19-8-11-24(35-2)25(16-19)36-3)26(31)21-17-20(9-10-23(21)29)37(33,34)30-14-6-5-7-15-30/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,28,32)

InChI Key

UQLXALDUKZAZRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.338

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-3.06

Polar Surface Area

86.785

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with C519-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-1417?
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What is the minimum amount of C519-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-1417
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C519-1417 available by request