M043-0302 Screening compound: methyl 4-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate

M043-0302 Screening compound: methyl 4-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
M043-0302 Screening compound: methyl 4-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M043-0302
methyl 4-(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

M043-0302

Molecular Formula

C20H23N3O5S2 (C20 H23 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(CSc(cc1)nnc1S(C1CCCCC1)(=O)=O)=O)=O

InChI

InChI=1S/C20H23N3O5S2/c1-28-20(25)14-7-9-15(10-8-14)21-17(24)13-29-18-11-12-19(23-22-18)30(26,27)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,21,24)

InChI Key

XQYRQFZQVILRJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-3.79

Polar Surface Area

94.862

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M043-0302 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 M043-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M043-0302?
Check Price and Availability of M043-0302, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M043-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M043-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M043-0302
  • 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 M043-0302 available by request