M043-0741 Screening compound: ethyl 2-(2-{[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

M043-0741 Screening compound: ethyl 2-(2-{[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
M043-0741 Screening compound: ethyl 2-(2-{[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M043-0741
ethyl 2-(2-{[6-(4-methylbenzenesulfonyl)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

M043-0741

Molecular Formula

C22H21N3O5S2 (C22 H21 N3 O5 S2)

Compound Name

ethyl 2-(2-{[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc(cc1)nnc1S(c1ccc(C)cc1)(=O)=O)=O)=O

InChI

InChI=1S/C22H21N3O5S2/c1-3-30-22(27)17-6-4-5-7-18(17)23-19(26)14-31-20-12-13-21(25-24-20)32(28,29)16-10-8-15(2)9-11-16/h4-13H,3,14H2,1-2H3,(H,23,26)

InChI Key

UGQIUIWKWRALBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

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

3.757

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-3.89

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

18.20

M043-0741 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M043-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M043-0741?
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What is the minimum amount of M043-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M043-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M043-0741
  • 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 M043-0741 available by request