K786-8485 Screening compound: 3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(3-methylbutyl)propanamide

K786-8485 Screening compound: 3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(3-methylbutyl)propanamide
K786-8485 Screening compound: 3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(3-methylbutyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8485
3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(3-methylbutyl)propanamide

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

K786-8485

Molecular Formula

C18H22ClN3O2 (C18 H22 ClN3 O2)

Compound Name

3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(3-methylbutyl)propanamide

IUPAC name

3-[3-(4-chlorophenyl)-6-oxo-16-dihydropyridazin-1-yl]-N-(3-methylbutyl)propanamide

SMILES

CC(C)CCNC(CCN(C(C=C1)=O)N=C1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H22ClN3O2/c1-13(2)9-11-20-17(23)10-12-22-18(24)8-7-16(21-22)14-3-5-15(19)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,20,23)

InChI Key

UHCBZEOUGVUFKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03833805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.147

Distribution Coefficient, logD

3.147

Water Solubility, LogSw

-3.70

Polar Surface Area

53.110

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

K786-8485 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K786-8485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8485?
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What is the minimum amount of K786-8485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8485
  • 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 K786-8485 available by request