E549-0133 Screening compound: 2-{[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

E549-0133 Screening compound: 2-{[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
E549-0133 Screening compound: 2-{[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E549-0133
2-{[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)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

E549-0133

Molecular Formula

C15H16N6OS3 (C15 H16 N6 OS3)

Compound Name

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

IUPAC name

2-{[6-(24-dimethyl-13-thiazol-5-yl)pyridazin-3-yl]sulfanyl}-N-(5-ethyl-134-thiadiazol-2-yl)acetamide

SMILES

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

InChI

InChI=1S/C15H16N6OS3/c1-4-12-19-21-15(25-12)17-11(22)7-23-13-6-5-10(18-20-13)14-8(2)16-9(3)24-14/h5-6H,4,7H2,1-3H3,(H,17,21,22)

InChI Key

JFCBSOWGHGTLCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-3.20

Polar Surface Area

78.378

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E549-0133 in Drug Discovery

Included in Screening Libraries

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
  • 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 E549-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E549-0133?
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What is the minimum amount of E549-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E549-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E549-0133
  • 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 E549-0133 available by request