3229-1480 Screening compound: (5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

3229-1480 Screening compound: (5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
3229-1480 Screening compound: (5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1480
(5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

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

3229-1480

Molecular Formula

C11H7Br2NO3S (C11 H7 Br2 NO3 S)

Compound Name

(5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-5-[(35-dibromo-4-methoxyphenyl)methylidene]-13-thiazolidine-24-dione

SMILES

COc(c(Br)cc(/C=C(\C(N1)=O)/SC1=O)c1)c1Br

InChI

InChI=1S/C11H7Br2NO3S/c1-17-9-6(12)2-5(3-7(9)13)4-8-10(15)14-11(16)18-8/h2-4H,1H3,(H,14,15,16)

InChI Key

QXEKLTNOLUIGMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.765

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.27

Polar Surface Area

45.625

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3229-1480 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3229-1480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1480?
Check Price and Availability of 3229-1480, 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 3229-1480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1480
  • 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 3229-1480 available by request