3229-2024 Screening compound: (5E)-3-(4-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

3229-2024 Screening compound: (5E)-3-(4-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3229-2024 Screening compound: (5E)-3-(4-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2024
(5E)-3-(4-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-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

3229-2024

Molecular Formula

C18H12N2O6S2 (C18 H12 N2 O6 S2)

Compound Name

(5E)-3-(4-methoxyphenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-(4-methoxyphenyl)-5-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc(cc1)ccc1N(C(/C(/S1)=C\c(cc2OCOc2c2)c2[N+]([O-])=O)=O)C1=S

InChI

InChI=1S/C18H12N2O6S2/c1-24-12-4-2-11(3-5-12)19-17(21)16(28-18(19)27)7-10-6-14-15(26-9-25-14)8-13(10)20(22)23/h2-8H,9H2,1H3

InChI Key

WSUWRGGDCJZGKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.678

Distribution Coefficient, logD

3.678

Water Solubility, LogSw

-4.13

Polar Surface Area

73.571

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3229-2024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2024?
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What is the minimum amount of 3229-2024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2024
  • 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 3229-2024 available by request