E559-0044 Screening compound: ethyl 2-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamido}benzoate

E559-0044 Screening compound: ethyl 2-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamido}benzoate
E559-0044 Screening compound: ethyl 2-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E559-0044
ethyl 2-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamido}benzoate

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

E559-0044

Molecular Formula

C16H15N3O5S2 (C16 H15 N3 O5 S2)

Compound Name

ethyl 2-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamido}benzoate

IUPAC name

ethyl 2-{7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-sulfonamido}benzoate

SMILES

CCOC(c(cccc1)c1NS(C1=C(C)N=C2SC=CN2C1=O)(=O)=O)=O

InChI

InChI=1S/C16H15N3O5S2/c1-3-24-15(21)11-6-4-5-7-12(11)18-26(22,23)13-10(2)17-16-19(14(13)20)8-9-25-16/h4-9,18H,3H2,1-2H3

InChI Key

XZJKEXWEVUDJCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.551

Distribution Coefficient, logD

-2.746

Water Solubility, LogSw

-2.60

Polar Surface Area

85.810

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E559-0044 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Structure:
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E559-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E559-0044?
Check Price and Availability of E559-0044, 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 E559-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E559-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E559-0044
  • 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 E559-0044 available by request