C519-1793 Screening compound: ethyl 4-{1-ethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate

C519-1793 Screening compound: ethyl 4-{1-ethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate
C519-1793 Screening compound: ethyl 4-{1-ethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-1793
ethyl 4-{1-ethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate

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

C519-1793

Molecular Formula

C25H34N4O6S (C25 H34 N4 O6 S)

Compound Name

ethyl 4-{1-ethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{1-ethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-14-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate

SMILES

CCN(C=C1C(N(CC2)CCN2C(OCC)=O)=O)c(ccc(S(N2CCC(C)CC2)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C25H34N4O6S/c1-4-26-17-21(24(31)27-12-14-28(15-13-27)25(32)35-5-2)23(30)20-16-19(6-7-22(20)26)36(33,34)29-10-8-18(3)9-11-29/h6-7,16-18H,4-5,8-15H2,1-3H3

InChI Key

UOFZKMNBJKZXRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

2.303

Water Solubility, LogSw

-2.96

Polar Surface Area

86.698

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

C519-1793 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C519-1793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-1793?
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What is the minimum amount of C519-1793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-1793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-1793
  • 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 C519-1793 available by request