C597-0229 Screening compound: N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

C597-0229 Screening compound: N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide
C597-0229 Screening compound: N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0229
N-[(4-chlorophenyl)methyl]-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

C597-0229

Molecular Formula

C25H24ClN3O4S (C25 H24 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H24ClN3O4S/c26-20-9-6-18(7-10-20)16-27-25(31)23(14-17-4-2-1-3-5-17)29-34(32,33)21-11-12-22-19(15-21)8-13-24(30)28-22/h1-7,9-12,15,23,29H,8,13-14,16H2,(H,27,31)(H,28,30)/t23-/m0/s1

InChI Key

RACFIBBEPMDIHK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14774422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.56

Polar Surface Area

91.075

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C597-0229 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C597-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0229?
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What is the minimum amount of C597-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0229
  • 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 C597-0229 available by request