C597-0120 Screening compound: 2-oxo-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C597-0120 Screening compound: 2-oxo-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C597-0120 Screening compound: 2-oxo-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0120
2-oxo-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-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

C597-0120

Molecular Formula

C27H29N5O4S (C27 H29 N5 O4 S)

Compound Name

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

IUPAC name

2-oxo-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-1234-tetrahydroquinoline-6-sulfonamide

SMILES

O=C(C(Cc1ccccc1)NS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C27H29N5O4S/c33-26-12-9-21-19-22(10-11-23(21)29-26)37(35,36)30-24(18-20-6-2-1-3-7-20)27(34)32-16-14-31(15-17-32)25-8-4-5-13-28-25/h1-8,10-11,13,19,24,30H,9,12,14-18H2,(H,29,33)/t24-/m0/s1

InChI Key

PRQSYXXXXZAYIU-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14774382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.847

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-3.55

Polar Surface Area

95.081

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

C597-0120 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C597-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0120?
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What is the minimum amount of C597-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0120
  • 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 C597-0120 available by request