4600-2127 Screening compound: 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)benzamide

4600-2127 Screening compound: 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)benzamide
4600-2127 Screening compound: 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4600-2127
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)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

4600-2127

Molecular Formula

C27H28N2O2S2 (C27 H28 N2 O2 S2)

Compound Name

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)benzamide

IUPAC name

4-(3-benzyl-4-oxo-13-thiazolidin-2-yl)-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)benzamide

SMILES

Cc1cccc(CSCCNC(c2ccc(C(N3Cc4ccccc4)SCC3=O)cc2)=O)c1

InChI

InChI=1S/C27H28N2O2S2/c1-20-6-5-9-22(16-20)18-32-15-14-28-26(31)23-10-12-24(13-11-23)27-29(25(30)19-33-27)17-21-7-3-2-4-8-21/h2-13,16,27H,14-15,17-19H2,1H3,(H,28,31)/t27-/m0/s1

InChI Key

PJACSAYKRMJJCH-MHZLTWQESA-N

MDL Number (MFCD)

MFCD05039898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

5.162

Water Solubility, LogSw

-5.07

Polar Surface Area

40.999

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

4600-2127 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Autophagy-Targeted Library (4564 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 4600-2127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4600-2127?
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What is the minimum amount of 4600-2127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4600-2127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4600-2127
  • 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 4600-2127 available by request