L561-0458 Screening compound: N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

L561-0458 Screening compound: N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide
L561-0458 Screening compound: N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L561-0458
N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

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

L561-0458

Molecular Formula

C22H20FN3O2 (C22 H20 FN3 O2)

Compound Name

N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

IUPAC name

N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

SMILES

O=C(c(cc1)ccc1-c(cc1)nnc1Oc(cc1)ccc1F)NC1CCCC1

InChI

InChI=1S/C22H20FN3O2/c23-17-9-11-19(12-10-17)28-21-14-13-20(25-26-21)15-5-7-16(8-6-15)22(27)24-18-3-1-2-4-18/h5-14,18H,1-4H2,(H,24,27)

InChI Key

NIITWIKCNDVHJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.37

Polar Surface Area

52.863

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L561-0458 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L561-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L561-0458?
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What is the minimum amount of L561-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L561-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L561-0458
  • 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 L561-0458 available by request