K788-0004 Screening compound: 2-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[(furan-2-yl)methyl]-N-methylacetamide

K788-0004 Screening compound: 2-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[(furan-2-yl)methyl]-N-methylacetamide
K788-0004 Screening compound: 2-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[(furan-2-yl)methyl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0004
2-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[(furan-2-yl)methyl]-N-methylacetamide

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

K788-0004

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

2-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[(furan-2-yl)methyl]-N-methylacetamide

IUPAC name

2-[3-(4-chlorophenyl)-6-oxo-16-dihydropyridazin-1-yl]-N-[(furan-2-yl)methyl]-N-methylacetamide

SMILES

CN(Cc1ccco1)C(CN(C(C=C1)=O)N=C1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H16ClN3O3/c1-21(11-15-3-2-10-25-15)18(24)12-22-17(23)9-8-16(20-22)13-4-6-14(19)7-5-13/h2-10H,11-12H2,1H3

InChI Key

JGLODKVJGIOJNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03834027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.755

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-3.44

Polar Surface Area

52.191

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K788-0004 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K788-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0004?
Check Price and Availability of K788-0004, 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 K788-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0004
  • 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 K788-0004 available by request