C597-0037 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

C597-0037 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide
C597-0037 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0037
N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

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

C597-0037

Molecular Formula

C26H26ClN3O4S (C26 H26 ClN3 O4 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-(2-oxo-1234-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)NS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C26H26ClN3O4S/c27-21-9-6-18(7-10-21)14-15-28-26(32)24(16-19-4-2-1-3-5-19)30-35(33,34)22-11-12-23-20(17-22)8-13-25(31)29-23/h1-7,9-12,17,24,30H,8,13-16H2,(H,28,32)(H,29,31)/t24-/m0/s1

InChI Key

PERBRGGJIYCNND-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14774347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.73

Polar Surface Area

90.916

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C597-0037 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C597-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0037?
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What is the minimum amount of C597-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0037
  • 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 C597-0037 available by request