K786-8454 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide

K786-8454 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide
K786-8454 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8454
N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]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

K786-8454

Molecular Formula

C20H16Cl2FN3O2 (C20 H16 Cl2 FN3 O2)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-3-[3-(4-chlorophenyl)-6-oxo-16-dihydropyridazin-1-yl]propanamide

SMILES

O=C(CCN(C(C=C1)=O)N=C1c(cc1)ccc1Cl)NCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C20H16Cl2FN3O2/c21-15-4-1-13(2-5-15)18-7-8-20(28)26(25-18)10-9-19(27)24-12-14-3-6-16(23)11-17(14)22/h1-8,11H,9-10,12H2,(H,24,27)

InChI Key

UUOXFSFUEFXAMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03833779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.302

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.54

Polar Surface Area

52.997

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

K786-8454 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-8454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8454?
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What is the minimum amount of K786-8454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8454
  • 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 K786-8454 available by request