E548-0214 Screening compound: N-(3-fluorophenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

E548-0214 Screening compound: N-(3-fluorophenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide
E548-0214 Screening compound: N-(3-fluorophenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E548-0214
N-(3-fluorophenyl)-2-{[6-(pyridin-2-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

E548-0214

Molecular Formula

C17H13FN4OS (C17 H13 FN4 OS)

Compound Name

N-(3-fluorophenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(3-fluorophenyl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

O=C(CSc(cc1)nnc1-c1ncccc1)Nc1cc(F)ccc1

InChI

InChI=1S/C17H13FN4OS/c18-12-4-3-5-13(10-12)20-16(23)11-24-17-8-7-15(21-22-17)14-6-1-2-9-19-14/h1-10H,11H2,(H,20,23)

InChI Key

WVPNJYWPGFEISQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-3.06

Polar Surface Area

52.996

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

E548-0214 in Drug Discovery

Included in Screening Libraries

Human Phosphatases Annotated Library (206 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E548-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E548-0214?
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What is the minimum amount of E548-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E548-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E548-0214
  • 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 E548-0214 available by request