E547-0037 Screening compound: 2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

E547-0037 Screening compound: 2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
E547-0037 Screening compound: 2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E547-0037
2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)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

E547-0037

Molecular Formula

C19H19N3OS2 (C19 H19 N3 OS2)

Compound Name

2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

IUPAC name

2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc(cc1)nnc1-c1cccs1)=O

InChI

InChI=1S/C19H19N3OS2/c1-12-9-13(2)19(14(3)10-12)20-17(23)11-25-18-7-6-15(21-22-18)16-5-4-8-24-16/h4-10H,11H2,1-3H3,(H,20,23)

InChI Key

FAJSOHFFSUEIHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.946

Water Solubility, LogSw

-3.81

Polar Surface Area

43.571

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E547-0037 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E547-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E547-0037?
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What is the minimum amount of E547-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E547-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E547-0037
  • 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 E547-0037 available by request