C565-0168 Screening compound: N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C565-0168 Screening compound: N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C565-0168 Screening compound: N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C565-0168
N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-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

C565-0168

Molecular Formula

C27H27FN4O4S (C27 H27 FN4 O4 S)

Compound Name

N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2-oxo-1234-tetrahydroquinoline-6-sulfonamide

SMILES

O=C(C(c1ccccc1)NS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C27H27FN4O4S/c28-21-7-9-22(10-8-21)31-14-16-32(17-15-31)27(34)26(19-4-2-1-3-5-19)30-37(35,36)23-11-12-24-20(18-23)6-13-25(33)29-24/h1-5,7-12,18,26,30H,6,13-17H2,(H,29,33)/t26-/m1/s1

InChI Key

RJOSMUSDXBJHST-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14772365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.56

Polar Surface Area

86.292

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

C565-0168 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C565-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C565-0168?
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What is the minimum amount of C565-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C565-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C565-0168
  • 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 C565-0168 available by request