6177-5824 Screening compound: 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(1-phenylethyl)benzamide

6177-5824 Screening compound: 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(1-phenylethyl)benzamide
6177-5824 Screening compound: 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(1-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-5824
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(1-phenylethyl)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

6177-5824

Molecular Formula

C26H26N2O2S (C26 H26 N2 O2 S)

Compound Name

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

IUPAC name

4-[4-oxo-3-(2-phenylethyl)-13-thiazolidin-2-yl]-N-(1-phenylethyl)benzamide

SMILES

CC(c1ccccc1)NC(c1ccc(C(N2CCc3ccccc3)SCC2=O)cc1)=O

InChI

InChI=1S/C26H26N2O2S/c1-19(21-10-6-3-7-11-21)27-25(30)22-12-14-23(15-13-22)26-28(24(29)18-31-26)17-16-20-8-4-2-5-9-20/h2-15,19,26H,16-18H2,1H3,(H,27,30)

InChI Key

RNVWCYNOEWJPIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03724265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.24

Polar Surface Area

40.299

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

6177-5824 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6177-5824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-5824?
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What is the minimum amount of 6177-5824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-5824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-5824
  • 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 6177-5824 available by request