L562-0456 Screening compound: 3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide

L562-0456 Screening compound: 3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
L562-0456 Screening compound: 3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L562-0456
3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(5-methylfuran-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

L562-0456

Molecular Formula

C23H18FN3O3 (C23 H18 FN3 O3)

Compound Name

3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide

IUPAC name

3-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide

SMILES

Cc1ccc(CNC(c2cccc(-c(cc3)nnc3Oc(cc3)ccc3F)c2)=O)o1

InChI

InChI=1S/C23H18FN3O3/c1-15-5-8-20(29-15)14-25-23(28)17-4-2-3-16(13-17)21-11-12-22(27-26-21)30-19-9-6-18(24)7-10-19/h2-13H,14H2,1H3,(H,25,28)

InChI Key

SOPQSEKKSAJLBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.41

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

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.47

Polar Surface Area

60.034

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

L562-0456 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 L562-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L562-0456?
Check Price and Availability of L562-0456, 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 L562-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L562-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L562-0456
  • 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 L562-0456 available by request