M043-0754 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamide

M043-0754 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamide
M043-0754 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M043-0754
N-(2,5-dimethoxyphenyl)-2-{[6-(4-methylbenzenesulfonyl)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

M043-0754

Molecular Formula

C21H21N3O5S2 (C21 H21 N3 O5 S2)

Compound Name

N-(2,5-dimethoxyphenyl)-2-{[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamide

IUPAC name

N-(25-dimethoxyphenyl)-2-{[6-(4-methylbenzenesulfonyl)pyridazin-3-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1S(c(cc1)nnc1SCC(Nc(cc(cc1)OC)c1OC)=O)(=O)=O

InChI

InChI=1S/C21H21N3O5S2/c1-14-4-7-16(8-5-14)31(26,27)21-11-10-20(23-24-21)30-13-19(25)22-17-12-15(28-2)6-9-18(17)29-3/h4-12H,13H2,1-3H3,(H,22,25)

InChI Key

BQVBCIWHDUGSDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.53

Polar Surface Area

87.972

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M043-0754 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M043-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M043-0754?
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What is the minimum amount of M043-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M043-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M043-0754
  • 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 M043-0754 available by request