4299-0788 Screening compound: (5Z)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

4299-0788 Screening compound: (5Z)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
4299-0788 Screening compound: (5Z)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-0788
(5Z)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-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

4299-0788

Molecular Formula

C18H14BrNO4S (C18 H14 BrNO4 S)

Compound Name

(5Z)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

IUPAC name

(5Z)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-13-thiazolidine-24-dione

SMILES

CCOc(c(O)c1)cc(/C=C(/C(N2c3ccccc3)=O)\SC2=O)c1Br

InChI

InChI=1S/C18H14BrNO4S/c1-2-24-15-8-11(13(19)10-14(15)21)9-16-17(22)20(18(23)25-16)12-6-4-3-5-7-12/h3-10,21H,2H2,1H3

InChI Key

WRJALMRGGKMBAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-3.83

Polar Surface Area

52.742

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4299-0788 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4299-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-0788?
Check Price and Availability of 4299-0788, 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 4299-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-0788
  • 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 4299-0788 available by request