Y041-5634 Screening compound: 2-(1-azepanylmethyl)-6-(4-fluoro-2-methoxyphenyl)-3(2H)-pyridazinone

Y041-5634 Screening compound: 2-(1-azepanylmethyl)-6-(4-fluoro-2-methoxyphenyl)-3(2H)-pyridazinone
Y041-5634 Screening compound: 2-(1-azepanylmethyl)-6-(4-fluoro-2-methoxyphenyl)-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5634
2-(1-azepanylmethyl)-6-(4-fluoro-2-methoxyphenyl)-3(2H)-pyridazinone

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

Y041-5634

Molecular Formula

C18H22FN3O2 (C18 H22 FN3 O2)

Compound Name

2-(1-azepanylmethyl)-6-(4-fluoro-2-methoxyphenyl)-3(2H)-pyridazinone

IUPAC name

2-[(azepan-1-yl)methyl]-6-(4-fluoro-2-methoxyphenyl)-23-dihydropyridazin-3-one

SMILES

COc(cc(cc1)F)c1C(C=C1)=NN(CN2CCCCCC2)C1=O

InChI

InChI=1S/C18H22FN3O2/c1-24-17-12-14(19)6-7-15(17)16-8-9-18(23)22(20-16)13-21-10-4-2-3-5-11-21/h6-9,12H,2-5,10-11,13H2,1H3

InChI Key

WJHJEHRASRTODM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20537320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.346

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.55

Polar Surface Area

41.935

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

Y041-5634 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-5634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5634?
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What is the minimum amount of Y041-5634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5634
  • 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 Y041-5634 available by request