M043-0597 Screening compound: ethyl 2-(2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

M043-0597 Screening compound: ethyl 2-(2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
M043-0597 Screening compound: ethyl 2-(2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M043-0597
ethyl 2-(2-{[6-(benzenesulfonyl)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

M043-0597

Molecular Formula

C21H19N3O5S2 (C21 H19 N3 O5 S2)

Compound Name

ethyl 2-(2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[6-(benzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc(cc1)nnc1S(c1ccccc1)(=O)=O)=O)=O

InChI

InChI=1S/C21H19N3O5S2/c1-2-29-21(26)16-10-6-7-11-17(16)22-18(25)14-30-19-12-13-20(24-23-19)31(27,28)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,22,25)

InChI Key

SIXWBHCOLZULSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.60

Polar Surface Area

93.552

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M043-0597 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M043-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M043-0597?
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What is the minimum amount of M043-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M043-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M043-0597
  • 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 M043-0597 available by request