3643-3092 Screening compound: methyl 6-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

3643-3092 Screening compound: methyl 6-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
3643-3092 Screening compound: methyl 6-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-3092
methyl 6-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

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

3643-3092

Molecular Formula

C19H23NO3S2 (C19 H23 NO3 S2)

Compound Name

methyl 6-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

IUPAC name

methyl 6-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoate

SMILES

CCc1ccc(/C=C(\C(N2CCCCCC(OC)=O)=O)/SC2=S)cc1

InChI

InChI=1S/C19H23NO3S2/c1-3-14-8-10-15(11-9-14)13-16-18(22)20(19(24)25-16)12-6-4-5-7-17(21)23-2/h8-11,13H,3-7,12H2,1-2H3

InChI Key

YGUGWXLWFQCVPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.582

Distribution Coefficient, logD

4.582

Water Solubility, LogSw

-4.22

Polar Surface Area

37.271

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with 3643-3092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-3092?
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What is the minimum amount of 3643-3092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-3092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-3092
  • 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 3643-3092 available by request