6177-5817 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

6177-5817 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
6177-5817 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-5817
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

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

6177-5817

Molecular Formula

C28H30N2O4S (C28 H30 N2 O4 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-[4-oxo-3-(2-phenylethyl)-13-thiazolidin-2-yl]benzamide

SMILES

COc(ccc(CCNC(c1ccc(C(N2CCc3ccccc3)SCC2=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C28H30N2O4S/c1-33-24-13-8-21(18-25(24)34-2)14-16-29-27(32)22-9-11-23(12-10-22)28-30(26(31)19-35-28)17-15-20-6-4-3-5-7-20/h3-13,18,28H,14-17,19H2,1-2H3,(H,29,32)/t28-/m0/s1

InChI Key

ZEQQTXJYCZYCHF-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD03269619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-4.03

Polar Surface Area

56.238

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

6177-5817 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

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 6177-5817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-5817?
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What is the minimum amount of 6177-5817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-5817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-5817
  • 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 6177-5817 available by request