3229-1548 Screening compound: (5E)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

3229-1548 Screening compound: (5E)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3229-1548 Screening compound: (5E)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1548
(5E)-5-[(6-chloro-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

3229-1548

Molecular Formula

C11H6ClNO3S2 (C11 H6 ClNO3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/S1)=C\c(cc2OCOc2c2)c2Cl)NC1=S

InChI

InChI=1S/C11H6ClNO3S2/c12-6-3-8-7(15-4-16-8)1-5(6)2-9-10(14)13-11(17)18-9/h1-3H,4H2,(H,13,14,17)

InChI Key

NDPYXMPIFRXUKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01097786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.137

Distribution Coefficient, logD

-0.136

Water Solubility, LogSw

-3.06

Polar Surface Area

42.016

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3229-1548 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human Kinases Annotated Library (2415 compounds)

STING Agonist Library (5895 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3229-1548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1548?
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What is the minimum amount of 3229-1548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1548
  • 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 3229-1548 available by request