E549-0065 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

E549-0065 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide
E549-0065 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E549-0065
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

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

E549-0065

Molecular Formula

C18H16N4O3S2 (C18 H16 N4 O3 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[6-(24-dimethyl-13-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

Cc1c(-c(cc2)nnc2SCC(Nc(cc2)cc3c2OCO3)=O)sc(C)n1

InChI

InChI=1S/C18H16N4O3S2/c1-10-18(27-11(2)19-10)13-4-6-17(22-21-13)26-8-16(23)20-12-3-5-14-15(7-12)25-9-24-14/h3-7H,8-9H2,1-2H3,(H,20,23)

InChI Key

MUIIMYIWSIKTHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.28

Polar Surface Area

71.453

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E549-0065 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E549-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E549-0065?
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What is the minimum amount of E549-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E549-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E549-0065
  • 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 E549-0065 available by request