3215-1461 Screening compound: 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid

3215-1461 Screening compound: 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid
3215-1461 Screening compound: 2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3215-1461
2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic 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

3215-1461

Molecular Formula

C14H15NO6S3 (C14 H15 NO6 S3)

Compound Name

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

IUPAC name

2-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]ethane-1-sulfonic acid

SMILES

CCOc(cc(/C=C(/C(N1CCS(O)(=O)=O)=O)\SC1=S)cc1)c1O

InChI

InChI=1S/C14H15NO6S3/c1-2-21-11-7-9(3-4-10(11)16)8-12-13(17)15(14(22)23-12)5-6-24(18,19)20/h3-4,7-8,16H,2,5-6H2,1H3,(H,18,19,20)

InChI Key

SZNVQNHUWPEJKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01794246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.180

Distribution Coefficient, logD

-9.138

Water Solubility, LogSw

-1.97

Polar Surface Area

83.510

Acid Dissociation Constant (pKa)

-1.92

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3215-1461 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3215-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3215-1461?
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What is the minimum amount of 3215-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3215-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3215-1461
  • 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 3215-1461 available by request