8013-6647 Screening compound: N-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide

8013-6647 Screening compound: N-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide
8013-6647 Screening compound: N-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6647
N-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide

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

8013-6647

Molecular Formula

C20H18N2O4S2 (C20 H18 N2 O4 S2)

Compound Name

N-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide

IUPAC name

N-[(5E)-5-[(34-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NN(C(/C(/S1)=C\c(cc2)cc(OC)c2OC)=O)C1=S)=O

InChI

InChI=1S/C20H18N2O4S2/c1-12-4-7-14(8-5-12)18(23)21-22-19(24)17(28-20(22)27)11-13-6-9-15(25-2)16(10-13)26-3/h4-11H,1-3H3,(H,21,23)

InChI Key

KIDNBBKHELPXHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.43

Polar Surface Area

58.104

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-12.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 8013-6647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6647?
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What is the minimum amount of 8013-6647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6647
  • 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 8013-6647 available by request