M043-0595 Screening compound: 2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

M043-0595 Screening compound: 2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
M043-0595 Screening compound: 2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M043-0595
2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-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

M043-0595

Molecular Formula

C20H17N3O5S2 (C20 H17 N3 O5 S2)

Compound Name

2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

O=C(CSc(cc1)nnc1S(c1ccccc1)(=O)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H17N3O5S2/c24-18(21-14-6-7-16-17(12-14)28-11-10-27-16)13-29-19-8-9-20(23-22-19)30(25,26)15-4-2-1-3-5-15/h1-9,12H,10-11,13H2,(H,21,24)

InChI Key

JVNDNSHQDLYTHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.853

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-2.75

Polar Surface Area

89.319

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M043-0595 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M043-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M043-0595?
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What is the minimum amount of M043-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M043-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M043-0595
  • 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 M043-0595 available by request