0806-0222 Screening compound: 2-[(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

0806-0222 Screening compound: 2-[(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
0806-0222 Screening compound: 2-[(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0806-0222
2-[(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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

0806-0222

Molecular Formula

C12H7BrClNO4S2 (C12 H7 BrClNO4 S2)

Compound Name

2-[(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

OC(CN(C(/C(/S1)=C\c2cc(Cl)cc(Br)c2O)=O)C1=S)=O

InChI

InChI=1S/C12H7BrClNO4S2/c13-7-3-6(14)1-5(10(7)18)2-8-11(19)15(4-9(16)17)12(20)21-8/h1-3,18H,4H2,(H,16,17)/b8-2+

InChI Key

CJGNXYFCXBEPDQ-KRXBUXKQSA-N

MDL Number (MFCD)

MFCD00617356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.339

Distribution Coefficient, logD

-0.780

Water Solubility, LogSw

-2.79

Polar Surface Area

60.577

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 0806-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0806-0222?
Check Price and Availability of 0806-0222, 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 0806-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0806-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0806-0222
  • 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 0806-0222 available by request