2159-0087 Screening compound: pentyl 4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

2159-0087 Screening compound: pentyl 4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
2159-0087 Screening compound: pentyl 4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-0087
pentyl 4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

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

2159-0087

Molecular Formula

C20H25NO4S2 (C20 H25 NO4 S2)

Compound Name

pentyl 4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

IUPAC name

pentyl 4-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-13-thiazolidin-3-yl]butanoate

SMILES

CCCCCOC(CCCN(C(/C(/S1)=C\c(cc2)ccc2OC)=S)C1=O)=O

InChI

InChI=1S/C20H25NO4S2/c1-3-4-5-13-25-18(22)7-6-12-21-19(26)17(27-20(21)23)14-15-8-10-16(24-2)11-9-15/h8-11,14H,3-7,12-13H2,1-2H3

InChI Key

OWQGMTOCNOEZPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01185068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-4.83

Polar Surface Area

44.615

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with 2159-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-0087?
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What is the minimum amount of 2159-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-0087
  • 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 2159-0087 available by request