1683-2180 Screening compound: (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one

1683-2180 Screening compound: (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one
1683-2180 Screening compound: (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-2180
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one

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

1683-2180

Molecular Formula

C21H20N2O5S2 (C21 H20 N2 O5 S2)

Compound Name

(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCOc(cc(/C=C(/C(N1/N=C/c(cc2)cc(OCC)c2O)=O)\SC1=S)cc1)c1O

InChI

InChI=1S/C21H20N2O5S2/c1-3-27-17-9-13(5-7-15(17)24)11-19-20(26)23(21(29)30-19)22-12-14-6-8-16(25)18(10-14)28-4-2/h5-12,24-25H,3-4H2,1-2H3

InChI Key

PMDZIQBTCLMAQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00711940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.289

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-3.09

Polar Surface Area

74.374

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1683-2180 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1683-2180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-2180?
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What is the minimum amount of 1683-2180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-2180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-2180
  • 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 1683-2180 available by request