L562-0425 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

L562-0425 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide
L562-0425 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L562-0425
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[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

L562-0425

Molecular Formula

C25H24FN3O2 (C25 H24 FN3 O2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

SMILES

O=C(c1cccc(-c(cc2)nnc2Oc(cc2)ccc2F)c1)NCCC1=CCCCC1

InChI

InChI=1S/C25H24FN3O2/c26-21-9-11-22(12-10-21)31-24-14-13-23(28-29-24)19-7-4-8-20(17-19)25(30)27-16-15-18-5-2-1-3-6-18/h4-5,7-14,17H,1-3,6,15-16H2,(H,27,30)

InChI Key

MWBYOOFIZVWIOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.51

Polar Surface Area

52.805

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

L562-0425 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L562-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L562-0425?
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What is the minimum amount of L562-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L562-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L562-0425
  • 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 L562-0425 available by request