K788-4150 Screening compound: 2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

K788-4150 Screening compound: 2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
K788-4150 Screening compound: 2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4150
2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]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

K788-4150

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

IUPAC name

2-[3-(4-methoxyphenyl)-6-oxo-16-dihydropyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

SMILES

COc(cc1)ccc1C(C=C1)=NN(CC(NCCc(cc2)ccc2S(N)(=O)=O)=O)C1=O

InChI

InChI=1S/C21H22N4O5S/c1-30-17-6-4-16(5-7-17)19-10-11-21(27)25(24-19)14-20(26)23-13-12-15-2-8-18(9-3-15)31(22,28)29/h2-11H,12-14H2,1H3,(H,23,26)(H2,22,28,29)

InChI Key

FKSNJXUKJPVYDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.708

Distribution Coefficient, logD

0.708

Water Solubility, LogSw

-2.26

Polar Surface Area

111.007

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K788-4150 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-4150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4150?
Check Price and Availability of K788-4150, 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 K788-4150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4150
  • 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 K788-4150 available by request