Y041-5741 Screening compound: 2-(1-azepanylmethyl)-6-(4-bromophenyl)-3(2H)-pyridazinone

Y041-5741 Screening compound: 2-(1-azepanylmethyl)-6-(4-bromophenyl)-3(2H)-pyridazinone
Y041-5741 Screening compound: 2-(1-azepanylmethyl)-6-(4-bromophenyl)-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5741
2-(1-azepanylmethyl)-6-(4-bromophenyl)-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

Y041-5741

Molecular Formula

C17H20BrN3O (C17 H20 BrN3 O)

Compound Name

2-(1-azepanylmethyl)-6-(4-bromophenyl)-3(2H)-pyridazinone

IUPAC name

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

SMILES

O=C(C=C1)N(CN2CCCCCC2)N=C1c(cc1)ccc1Br

InChI

InChI=1S/C17H20BrN3O/c18-15-7-5-14(6-8-15)16-9-10-17(22)21(19-16)13-20-11-3-1-2-4-12-20/h5-10H,1-4,11-13H2

InChI Key

KVENSOUAIYQBOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20537253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-4.16

Polar Surface Area

34.305

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

Y041-5741 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 Y041-5741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5741?
Check Price and Availability of Y041-5741, 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 Y041-5741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5741
  • 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 Y041-5741 available by request