E548-0245 Screening compound: N-(3,5-dimethoxyphenyl)-2-{[6-(pyridin-3-yl)pyridazin-3-yl]sulfanyl}acetamide

E548-0245 Screening compound: N-(3,5-dimethoxyphenyl)-2-{[6-(pyridin-3-yl)pyridazin-3-yl]sulfanyl}acetamide
E548-0245 Screening compound: N-(3,5-dimethoxyphenyl)-2-{[6-(pyridin-3-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E548-0245
N-(3,5-dimethoxyphenyl)-2-{[6-(pyridin-3-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

E548-0245

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

N-(3,5-dimethoxyphenyl)-2-{[6-(pyridin-3-yl)pyridazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(35-dimethoxyphenyl)-2-{[6-(pyridin-3-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

COc1cc(NC(CSc(cc2)nnc2-c2cnccc2)=O)cc(OC)c1

InChI

InChI=1S/C19H18N4O3S/c1-25-15-8-14(9-16(10-15)26-2)21-18(24)12-27-19-6-5-17(22-23-19)13-4-3-7-20-11-13/h3-11H,12H2,1-2H3,(H,21,24)

InChI Key

UCEDCCXFNGZLEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.414

Distribution Coefficient, logD

2.405

Water Solubility, LogSw

-2.46

Polar Surface Area

68.554

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E548-0245 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E548-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E548-0245?
Check Price and Availability of E548-0245, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E548-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E548-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E548-0245
  • 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 E548-0245 available by request