1682-6467 Screening compound: 3-[(5E)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-2,4-DIOXO-1,3-THIAZOLIDIN-3-YL]-N-PHENYLPROPANAMIDE

1682-6467 Screening compound: 3-[(5E)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-2,4-DIOXO-1,3-THIAZOLIDIN-3-YL]-N-PHENYLPROPANAMIDE
1682-6467 Screening compound: 3-[(5E)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-2,4-DIOXO-1,3-THIAZOLIDIN-3-YL]-N-PHENYLPROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-6467
3-[(5E)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-2,4-DIOXO-1,3-THIAZOLIDIN-3-YL]-N-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

1682-6467

Molecular Formula

C21H20N2O5S (C21 H20 N2 O5 S)

Compound Name

3-[(5E)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-2,4-DIOXO-1,3-THIAZOLIDIN-3-YL]-N-PHENYLPROPANAMIDE

IUPAC name

n/a

SMILES

COc(ccc(/C=C(\C(N1CCC(Nc2ccccc2)=O)=O)/SC1=O)c1)c1OC

InChI

InChI=1S/C21H20N2O5S/c1-27-16-9-8-14(12-17(16)28-2)13-18-20(25)23(21(26)29-18)11-10-19(24)22-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)

InChI Key

IHUQJNWWFPKMFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00704319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.118

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.55

Polar Surface Area

67.984

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1682-6467 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1682-6467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-6467?
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What is the minimum amount of 1682-6467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-6467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-6467
  • 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 1682-6467 available by request