M043-0309 Screening compound: ethyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

M043-0309 Screening compound: ethyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
M043-0309 Screening compound: ethyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M043-0309
ethyl 2-(2-{[6-(cyclohexanesulfonyl)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

M043-0309

Molecular Formula

C21H25N3O5S2 (C21 H25 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(CSc(cc1)nnc1S(C1CCCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C21H25N3O5S2/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/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,22,25)

InChI Key

YZQPFUUDXKNHRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

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

3.647

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-3.77

Polar Surface Area

93.744

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

M043-0309 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 M043-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M043-0309?
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What is the minimum amount of M043-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M043-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M043-0309
  • 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 M043-0309 available by request