3331-1252 Screening compound: N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]octanamide

3331-1252 Screening compound: N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]octanamide
3331-1252 Screening compound: N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]octanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-1252
N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]octanamide

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

3331-1252

Molecular Formula

C19H24N2O4S2 (C19 H24 N2 O4 S2)

Compound Name

N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]octanamide

IUPAC name

N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]octanamide

SMILES

CCCCCCCC(NN(C(/C(/S1)=C/c(cc2)cc(OC)c2O)=O)C1=S)=O

InChI

InChI=1S/C19H24N2O4S2/c1-3-4-5-6-7-8-17(23)20-21-18(24)16(27-19(21)26)12-13-9-10-14(22)15(11-13)25-2/h9-12,22H,3-8H2,1-2H3,(H,20,23)

InChI Key

BOZJVFSOHKWXIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00355279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.750

Distribution Coefficient, logD

3.745

Water Solubility, LogSw

-3.49

Polar Surface Area

67.080

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

3331-1252 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3331-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-1252?
Check Price and Availability of 3331-1252, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3331-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-1252
  • 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 3331-1252 available by request