E559-0105 Screening compound: N-(5-chloro-2-hydroxyphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

E559-0105 Screening compound: N-(5-chloro-2-hydroxyphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
E559-0105 Screening compound: N-(5-chloro-2-hydroxyphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E559-0105
N-(5-chloro-2-hydroxyphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

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

E559-0105

Molecular Formula

C13H10ClN3O4S2 (C13 H10 ClN3 O4 S2)

Compound Name

N-(5-chloro-2-hydroxyphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

IUPAC name

N-(5-chloro-2-hydroxyphenyl)-7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-sulfonamide

SMILES

CC(N=C1SC=CN1C1=O)=C1S(Nc(cc(cc1)Cl)c1O)(=O)=O

InChI

InChI=1S/C13H10ClN3O4S2/c1-7-11(12(19)17-4-5-22-13(17)15-7)23(20,21)16-9-6-8(14)2-3-10(9)18/h2-6,16,18H,1H3

InChI Key

TUTKSZFUKVCFOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.82

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.345

Distribution Coefficient, logD

-1.832

Water Solubility, LogSw

-2.58

Polar Surface Area

81.605

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

E559-0105 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E559-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E559-0105?
Check Price and Availability of E559-0105, 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 E559-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E559-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E559-0105
  • 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 E559-0105 available by request