C565-0196 Screening compound: 2-oxo-N-{2-oxo-1-phenyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C565-0196 Screening compound: 2-oxo-N-{2-oxo-1-phenyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C565-0196 Screening compound: 2-oxo-N-{2-oxo-1-phenyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C565-0196
2-oxo-N-{2-oxo-1-phenyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-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

C565-0196

Molecular Formula

C25H26N6O4S (C25 H26 N6 O4 S)

Compound Name

2-oxo-N-{2-oxo-1-phenyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

2-oxo-N-{2-oxo-1-phenyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-1234-tetrahydroquinoline-6-sulfonamide

SMILES

O=C(C(c1ccccc1)NS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C25H26N6O4S/c32-22-10-7-19-17-20(8-9-21(19)28-22)36(34,35)29-23(18-5-2-1-3-6-18)24(33)30-13-15-31(16-14-30)25-26-11-4-12-27-25/h1-6,8-9,11-12,17,23,29H,7,10,13-16H2,(H,28,32)/t23-/m1/s1

InChI Key

AMYWNGKCLXREHB-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14772375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.006

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-2.92

Polar Surface Area

104.654

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

C565-0196 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 C565-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C565-0196?
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What is the minimum amount of C565-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C565-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C565-0196
  • 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 C565-0196 available by request