E547-0199 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

E547-0199 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine
E547-0199 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E547-0199
3-{[(3-chlorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

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

E547-0199

Molecular Formula

C15H11ClN2S2 (C15 H11 ClN2 S2)

Compound Name

3-{[(3-chlorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

IUPAC name

3-{[(3-chlorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

SMILES

Clc1cc(CSc(cc2)nnc2-c2cccs2)ccc1

InChI

InChI=1S/C15H11ClN2S2/c16-12-4-1-3-11(9-12)10-20-15-7-6-13(17-18-15)14-5-2-8-19-14/h1-9H,10H2

InChI Key

MTHJTCCXNIUWRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.91

Polar Surface Area

21.818

Acid Dissociation Constant (pKa)

25.30

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

E547-0199 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E547-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E547-0199?
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What is the minimum amount of E547-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E547-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E547-0199
  • 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 E547-0199 available by request