C519-1697 Screening compound: N-cyclohexyl-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide

C519-1697 Screening compound: N-cyclohexyl-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide
C519-1697 Screening compound: N-cyclohexyl-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-1697
N-cyclohexyl-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide

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

C519-1697

Molecular Formula

C31H40N4O4S (C31 H40 N4 O4 S)

Compound Name

N-cyclohexyl-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide

IUPAC name

N-cyclohexyl-3-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-N-methyl-4-oxo-14-dihydroquinoline-6-sulfonamide

SMILES

CCN(C=C1C(N(CC2)CCN2c2c(C)ccc(C)c2)=O)c(ccc(S(N(C)C2CCCCC2)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C31H40N4O4S/c1-5-33-21-27(31(37)35-17-15-34(16-18-35)29-19-22(2)11-12-23(29)3)30(36)26-20-25(13-14-28(26)33)40(38,39)32(4)24-9-7-6-8-10-24/h11-14,19-21,24H,5-10,15-18H2,1-4H3

InChI Key

IPWLMMYPYKYDHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.75

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.119

Distribution Coefficient, logD

5.119

Water Solubility, LogSw

-4.89

Polar Surface Area

67.821

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

C519-1697 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C519-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-1697?
Check Price and Availability of C519-1697, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C519-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-1697
  • 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 C519-1697 available by request