E549-0134 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

E549-0134 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide
E549-0134 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E549-0134
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-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

E549-0134

Molecular Formula

C20H18N6OS3 (C20 H18 N6 OS3)

Compound Name

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

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-2-{[6-(4-methyl-2-phenyl-13-thiazol-5-yl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

CCc1nnc(NC(CSc(cc2)nnc2-c2c(C)nc(-c3ccccc3)s2)=O)s1

InChI

InChI=1S/C20H18N6OS3/c1-3-16-24-26-20(29-16)22-15(27)11-28-17-10-9-14(23-25-17)18-12(2)21-19(30-18)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,22,26,27)

InChI Key

SAGOYMRCQQYZAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.6

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

4.425

Distribution Coefficient, logD

4.369

Water Solubility, LogSw

-4.22

Polar Surface Area

78.300

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E549-0134 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E549-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E549-0134?
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What is the minimum amount of E549-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E549-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E549-0134
  • 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 E549-0134 available by request