L561-0452 Screening compound: 4-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(oxolan-2-yl)methyl]benzamide

L561-0452 Screening compound: 4-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(oxolan-2-yl)methyl]benzamide
L561-0452 Screening compound: 4-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L561-0452
4-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(oxolan-2-yl)methyl]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

L561-0452

Molecular Formula

C22H20FN3O3 (C22 H20 FN3 O3)

Compound Name

4-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

4-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(oxolan-2-yl)methyl]benzamide

SMILES

O=C(c(cc1)ccc1-c(cc1)nnc1Oc(cc1)ccc1F)NCC1OCCC1

InChI

InChI=1S/C22H20FN3O3/c23-17-7-9-18(10-8-17)29-21-12-11-20(25-26-21)15-3-5-16(6-4-15)22(27)24-14-19-2-1-13-28-19/h3-12,19H,1-2,13-14H2,(H,24,27)/t19-/m1/s1

InChI Key

IXKSWASPZJDOKV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD15130580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

2.789

Water Solubility, LogSw

-3.39

Polar Surface Area

61.426

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

L561-0452 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 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 L561-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L561-0452?
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What is the minimum amount of L561-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L561-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L561-0452
  • 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 L561-0452 available by request