M043-1027 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3-fluorobenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamide

M043-1027 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3-fluorobenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamide
M043-1027 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3-fluorobenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M043-1027
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3-fluorobenzenesulfonyl)pyridazin-3-yl]sulfanyl}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

M043-1027

Molecular Formula

C20H16FN3O5S2 (C20 H16 FN3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc(cc1)nnc1S(c1cc(F)ccc1)(=O)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H16FN3O5S2/c21-13-2-1-3-15(10-13)31(26,27)20-7-6-19(23-24-20)30-12-18(25)22-14-4-5-16-17(11-14)29-9-8-28-16/h1-7,10-11H,8-9,12H2,(H,22,25)

InChI Key

IGLKHAWUWNUDFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.49

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

1.992

Distribution Coefficient, logD

1.992

Water Solubility, LogSw

-2.90

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

M043-1027 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M043-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M043-1027?
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What is the minimum amount of M043-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M043-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M043-1027
  • 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 M043-1027 available by request