L562-0427 Screening compound: N-butyl-3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-methylbenzamide

L562-0427 Screening compound: N-butyl-3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-methylbenzamide
L562-0427 Screening compound: N-butyl-3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L562-0427
N-butyl-3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-methylbenzamide

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

L562-0427

Molecular Formula

C22H22FN3O2 (C22 H22 FN3 O2)

Compound Name

N-butyl-3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-methylbenzamide

IUPAC name

N-butyl-3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-methylbenzamide

SMILES

CCCCN(C)C(c1cccc(-c(cc2)nnc2Oc(cc2)ccc2F)c1)=O

InChI

InChI=1S/C22H22FN3O2/c1-3-4-14-26(2)22(27)17-7-5-6-16(15-17)20-12-13-21(25-24-20)28-19-10-8-18(23)9-11-19/h5-13,15H,3-4,14H2,1-2H3

InChI Key

ICHJOLBWPHVLIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-3.85

Polar Surface Area

44.758

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L562-0427 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 L562-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L562-0427?
Check Price and Availability of L562-0427, 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 L562-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L562-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L562-0427
  • 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 L562-0427 available by request