M428-0996 Screening compound: 2-({6-[5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridazin-3-yl}sulfanyl)-N-(propan-2-yl)acetamide

M428-0996 Screening compound: 2-({6-[5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridazin-3-yl}sulfanyl)-N-(propan-2-yl)acetamide
M428-0996 Screening compound: 2-({6-[5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridazin-3-yl}sulfanyl)-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M428-0996
2-({6-[5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridazin-3-yl}sulfanyl)-N-(propan-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

M428-0996

Molecular Formula

C19H21N5O2S (C19 H21 N5 O2 S)

Compound Name

2-({6-[5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridazin-3-yl}sulfanyl)-N-(propan-2-yl)acetamide

IUPAC name

2-({6-[5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridazin-3-yl}sulfanyl)-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CSc(cc1)nnc1-n1nccc1-c(cc1)ccc1OC)=O

InChI

InChI=1S/C19H21N5O2S/c1-13(2)21-18(25)12-27-19-9-8-17(22-23-19)24-16(10-11-20-24)14-4-6-15(26-3)7-5-14/h4-11,13H,12H2,1-3H3,(H,21,25)

InChI Key

QUQISLMZPUNMJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.40

Polar Surface Area

64.753

Acid Dissociation Constant (pKa)

15.54

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M428-0996 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M428-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M428-0996?
Check Price and Availability of M428-0996, 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 M428-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M428-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M428-0996
  • 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 M428-0996 available by request