3331-1900 Screening compound: 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid

3331-1900 Screening compound: 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid
3331-1900 Screening compound: 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-1900
2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid

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

3331-1900

Molecular Formula

C17H19NO5S3 (C17 H19 NO5 S3)

Compound Name

2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid

IUPAC name

2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid

SMILES

CCOc(cc(/C=C(/C(N1C(CCSC)C(O)=O)=O)\SC1=S)cc1)c1O

InChI

InChI=1S/C17H19NO5S3/c1-3-23-13-8-10(4-5-12(13)19)9-14-15(20)18(17(24)26-14)11(16(21)22)6-7-25-2/h4-5,8-9,11,19H,3,6-7H2,1-2H3,(H,21,22)/t11-/m0/s1

InChI Key

WBPHXDQRAIJKJY-NSHDSACASA-N

MDL Number (MFCD)

MFCD00710955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

-0.556

Water Solubility, LogSw

-2.47

Polar Surface Area

67.806

Acid Dissociation Constant (pKa)

4.55

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

3331-1900 in Drug Discovery

Included in Screening Libraries

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 3331-1900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-1900?
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What is the minimum amount of 3331-1900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-1900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-1900
  • 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 3331-1900 available by request