3976-0153 Screening compound: 5-ethoxy-3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one

3976-0153 Screening compound: 5-ethoxy-3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
3976-0153 Screening compound: 5-ethoxy-3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3976-0153
5-ethoxy-3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-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

3976-0153

Molecular Formula

C18H14N2O4S2 (C18 H14 N2 O4 S2)

Compound Name

5-ethoxy-3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

5-ethoxy-3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-23-dihydro-1H-indol-2-one

SMILES

CCOc(cc1)cc(/C2=C(\C(N3Cc4ccco4)=O)/SC3=S)c1NC2=O

InChI

InChI=1S/C18H14N2O4S2/c1-2-23-10-5-6-13-12(8-10)14(16(21)19-13)15-17(22)20(18(25)26-15)9-11-4-3-7-24-11/h3-8H,2,9H2,1H3,(H,19,21)

InChI Key

FEULZIKPOVNNJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02239237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.62

Polar Surface Area

56.558

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3976-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3976-0153?
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What is the minimum amount of 3976-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3976-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3976-0153
  • 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 3976-0153 available by request