E549-0052 Screening compound: N-(3-methoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

E549-0052 Screening compound: N-(3-methoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide
E549-0052 Screening compound: N-(3-methoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E549-0052
N-(3-methoxyphenyl)-2-{[6-(4-methyl-2-phenyl-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

E549-0052

Molecular Formula

C23H20N4O2S2 (C23 H20 N4 O2 S2)

Compound Name

N-(3-methoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(3-methoxyphenyl)-2-{[6-(4-methyl-2-phenyl-13-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

Cc1c(-c(cc2)nnc2SCC(Nc2cc(OC)ccc2)=O)sc(-c2ccccc2)n1

InChI

InChI=1S/C23H20N4O2S2/c1-15-22(31-23(24-15)16-7-4-3-5-8-16)19-11-12-21(27-26-19)30-14-20(28)25-17-9-6-10-18(13-17)29-2/h3-13H,14H2,1-2H3,(H,25,28)

InChI Key

SDIYLZWGPUJDJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.900

Water Solubility, LogSw

-4.69

Polar Surface Area

61.803

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

E549-0052 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E549-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E549-0052?
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What is the minimum amount of E549-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E549-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E549-0052
  • 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 E549-0052 available by request