E547-0079 Screening compound: methyl 4-(2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

E547-0079 Screening compound: methyl 4-(2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
E547-0079 Screening compound: methyl 4-(2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E547-0079
methyl 4-(2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

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

E547-0079

Molecular Formula

C18H15N3O3S2 (C18 H15 N3 O3 S2)

Compound Name

methyl 4-(2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 4-(2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(CSc(cc1)nnc1-c1cccs1)=O)=O

InChI

InChI=1S/C18H15N3O3S2/c1-24-18(23)12-4-6-13(7-5-12)19-16(22)11-26-17-9-8-14(20-21-17)15-3-2-10-25-15/h2-10H,11H2,1H3,(H,19,22)

InChI Key

JAQIINQOXZAPHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.74

Polar Surface Area

66.141

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E547-0079 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E547-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E547-0079?
Check Price and Availability of E547-0079, 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 E547-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E547-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E547-0079
  • 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 E547-0079 available by request