E559-0172 Screening compound: N,7-dimethyl-N-(3-methylphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

E559-0172 Screening compound: N,7-dimethyl-N-(3-methylphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
E559-0172 Screening compound: N,7-dimethyl-N-(3-methylphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E559-0172
N,7-dimethyl-N-(3-methylphenyl)-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

E559-0172

Molecular Formula

C15H15N3O3S2 (C15 H15 N3 O3 S2)

Compound Name

N,7-dimethyl-N-(3-methylphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

IUPAC name

N7-dimethyl-N-(3-methylphenyl)-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-sulfonamide

SMILES

Cc1cccc(N(C)S(C2=C(C)N=C3SC=CN3C2=O)(=O)=O)c1

InChI

InChI=1S/C15H15N3O3S2/c1-10-5-4-6-12(9-10)17(3)23(20,21)13-11(2)16-15-18(14(13)19)7-8-22-15/h4-9H,1-3H3

InChI Key

CFZXNMOAACSNOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

1.677

Water Solubility, LogSw

-2.37

Polar Surface Area

57.926

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E559-0172 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 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 E559-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E559-0172?
Check Price and Availability of E559-0172, 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 E559-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E559-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E559-0172
  • 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 E559-0172 available by request