E559-0737 Screening compound: 2,7-dimethyl-6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

E559-0737 Screening compound: 2,7-dimethyl-6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
E559-0737 Screening compound: 2,7-dimethyl-6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E559-0737
2,7-dimethyl-6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

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

E559-0737

Molecular Formula

C17H17N3O3S2 (C17 H17 N3 O3 S2)

Compound Name

2,7-dimethyl-6-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

27-dimethyl-6-(1234-tetrahydroquinoline-1-sulfonyl)-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

CC(SC1=NC(C)=C2S(N(CCC3)c4c3cccc4)(=O)=O)=CN1C2=O

InChI

InChI=1S/C17H17N3O3S2/c1-11-10-19-16(21)15(12(2)18-17(19)24-11)25(22,23)20-9-5-7-13-6-3-4-8-14(13)20/h3-4,6,8,10H,5,7,9H2,1-2H3

InChI Key

ZIGHECXQGNSWQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.712

Distribution Coefficient, logD

1.712

Water Solubility, LogSw

-2.28

Polar Surface Area

56.776

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E559-0737 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E559-0737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E559-0737?
Check Price and Availability of E559-0737, 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 E559-0737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E559-0737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E559-0737
  • 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 E559-0737 available by request