3229-0821 Screening compound: (5E)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

3229-0821 Screening compound: (5E)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
3229-0821 Screening compound: (5E)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0821
(5E)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-methyl-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

3229-0821

Molecular Formula

C12H8BrNO3S2 (C12 H8 BrNO3 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(C(/C(/S1)=C\c(cc2OCOc2c2)c2Br)=O)C1=S

InChI

InChI=1S/C12H8BrNO3S2/c1-14-11(15)10(19-12(14)18)3-6-2-8-9(4-7(6)13)17-5-16-8/h2-4H,5H2,1H3

InChI Key

PYZRGCOSRQHBQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00617511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.25

Polar Surface Area

33.595

Acid Dissociation Constant (pKa)

34.05

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3229-0821 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3229-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0821?
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What is the minimum amount of 3229-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0821
  • 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 3229-0821 available by request