C597-0246 Screening compound: N-{3-[methyl(phenyl)amino]propyl}-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

C597-0246 Screening compound: N-{3-[methyl(phenyl)amino]propyl}-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide
C597-0246 Screening compound: N-{3-[methyl(phenyl)amino]propyl}-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0246
N-{3-[methyl(phenyl)amino]propyl}-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

C597-0246

Molecular Formula

C28H32N4O4S (C28 H32 N4 O4 S)

Compound Name

N-{3-[methyl(phenyl)amino]propyl}-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

IUPAC name

N-{3-[methyl(phenyl)amino]propyl}-2-(2-oxo-1234-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

SMILES

CN(CCCNC(C(Cc1ccccc1)NS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C28H32N4O4S/c1-32(23-11-6-3-7-12-23)18-8-17-29-28(34)26(19-21-9-4-2-5-10-21)31-37(35,36)24-14-15-25-22(20-24)13-16-27(33)30-25/h2-7,9-12,14-15,20,26,31H,8,13,16-19H2,1H3,(H,29,34)(H,30,33)/t26-/m0/s1

InChI Key

RKSWQXGRNDCOOM-SANMLTNESA-N

MDL Number (MFCD)

MFCD14774426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.59

Polar Surface Area

94.121

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C597-0246 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 C597-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0246?
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What is the minimum amount of C597-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0246
  • 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 C597-0246 available by request