E548-0198 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[6-(pyridin-4-yl)pyridazin-3-yl]sulfanyl}acetamide

E548-0198 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[6-(pyridin-4-yl)pyridazin-3-yl]sulfanyl}acetamide
E548-0198 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[6-(pyridin-4-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E548-0198
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[6-(pyridin-4-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

E548-0198

Molecular Formula

C14H12N6OS2 (C14 H12 N6 OS2)

Compound Name

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

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-2-{[6-(pyridin-4-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

Cc1nnc(NC(CSc(cc2)nnc2-c2ccncc2)=O)s1

InChI

InChI=1S/C14H12N6OS2/c1-9-17-20-14(23-9)16-12(21)8-22-13-3-2-11(18-19-13)10-4-6-15-7-5-10/h2-7H,8H2,1H3,(H,16,20,21)

InChI Key

KVHMCAUQDXTSJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.332

Distribution Coefficient, logD

1.271

Water Solubility, LogSw

-1.82

Polar Surface Area

76.728

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E548-0198 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E548-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E548-0198?
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What is the minimum amount of E548-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E548-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E548-0198
  • 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 E548-0198 available by request