M428-0524 Screening compound: ethyl 3-(2-{[6-(5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

M428-0524 Screening compound: ethyl 3-(2-{[6-(5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
M428-0524 Screening compound: ethyl 3-(2-{[6-(5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M428-0524
ethyl 3-(2-{[6-(5-methyl-1H-pyrazol-1-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

M428-0524

Molecular Formula

C19H19N5O3S (C19 H19 N5 O3 S)

Compound Name

ethyl 3-(2-{[6-(5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 3-(2-{[6-(5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c1cccc(NC(CSc(cc2)nnc2-n2nccc2C)=O)c1)=O

InChI

InChI=1S/C19H19N5O3S/c1-3-27-19(26)14-5-4-6-15(11-14)21-17(25)12-28-18-8-7-16(22-23-18)24-13(2)9-10-20-24/h4-11H,3,12H2,1-2H3,(H,21,25)

InChI Key

IKVUCEWFPRVGSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.23

Polar Surface Area

78.637

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

M428-0524 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M428-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M428-0524?
Check Price and Availability of M428-0524, 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 M428-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M428-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M428-0524
  • 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 M428-0524 available by request