3453-0388 Screening compound: N-(2-hydroxyethyl)-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide

3453-0388 Screening compound: N-(2-hydroxyethyl)-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide
3453-0388 Screening compound: N-(2-hydroxyethyl)-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-0388
N-(2-hydroxyethyl)-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide

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

3453-0388

Molecular Formula

C23H24N2O6S2 (C23 H24 N2 O6 S2)

Compound Name

N-(2-hydroxyethyl)-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide

IUPAC name

N-(2-hydroxyethyl)-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-3-yl]-N-phenylacetamide

SMILES

COc1cc(/C=C(/C(N2CC(N(CCO)c3ccccc3)=O)=O)\SC2=S)cc(OC)c1OC

InChI

InChI=1S/C23H24N2O6S2/c1-29-17-11-15(12-18(30-2)21(17)31-3)13-19-22(28)25(23(32)33-19)14-20(27)24(9-10-26)16-7-5-4-6-8-16/h4-8,11-13,26H,9-10,14H2,1-3H3

InChI Key

DLQCWRBOOKFQRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02078018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.435

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-2.83

Polar Surface Area

71.421

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 3453-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-0388?
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What is the minimum amount of 3453-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-0388
  • 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 3453-0388 available by request