3229-0826 Screening compound: (5E)-5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

3229-0826 Screening compound: (5E)-5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
3229-0826 Screening compound: (5E)-5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0826
(5E)-5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)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

3229-0826

Molecular Formula

C12H9Br2NO3S2 (C12 H9 Br2 NO3 S2)

Compound Name

(5E)-5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(23-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CN(C(/C(/S1)=C\c(c(Br)c(cc2OC)Br)c2O)=O)C1=S

InChI

InChI=1S/C12H9Br2NO3S2/c1-15-11(17)8(20-12(15)19)3-5-9(14)6(13)4-7(18-2)10(5)16/h3-4,16H,1-2H3

InChI Key

DHKDKGWEEHSXOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.15

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.54

Polar Surface Area

39.589

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3229-0826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0826?
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What is the minimum amount of 3229-0826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0826
  • 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 3229-0826 available by request