C519-0758F Screening compound: N-butyl-N,1-dimethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

C519-0758F Screening compound: N-butyl-N,1-dimethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
C519-0758F Screening compound: N-butyl-N,1-dimethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-0758F
N-butyl-N,1-dimethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-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

C519-0758F

Molecular Formula

C22H31N3O4S (C22 H31 N3 O4 S)

Compound Name

N-butyl-N,1-dimethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-butyl-N1-dimethyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCCCN(C)C(C1=CN(C)c(ccc(S(N2CCC(C)CC2)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C22H31N3O4S/c1-5-6-11-23(3)22(27)19-15-24(4)20-8-7-17(14-18(20)21(19)26)30(28,29)25-12-9-16(2)10-13-25/h7-8,14-16H,5-6,9-13H2,1-4H3

InChI Key

KSEWWHKORCQBOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.211

Distribution Coefficient, logD

2.211

Water Solubility, LogSw

-3.01

Polar Surface Area

63.661

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

C519-0758F in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C519-0758F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-0758F?
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What is the minimum amount of C519-0758F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-0758F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-0758F
  • 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 C519-0758F available by request