1889-0901 Screening compound: (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

1889-0901 Screening compound: (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
1889-0901 Screening compound: (5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-0901
(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-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

1889-0901

Molecular Formula

C19H17NO4S2 (C19 H17 NO4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=C(\C(N1c(cccc2)c2OC)=O)/SC1=S)cc1)c1O

InChI

InChI=1S/C19H17NO4S2/c1-3-24-16-10-12(8-9-14(16)21)11-17-18(22)20(19(25)26-17)13-6-4-5-7-15(13)23-2/h4-11,21H,3H2,1-2H3

InChI Key

SPXAQCRVGKEJGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

3.503

Water Solubility, LogSw

-3.58

Polar Surface Area

46.919

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

1889-0901 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1889-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1889-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-0901
  • 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 1889-0901 available by request