Y041-0196 Screening compound: 6-(4-bromophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-2,3-dihydropyridazin-3-one

Y041-0196 Screening compound: 6-(4-bromophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-2,3-dihydropyridazin-3-one
Y041-0196 Screening compound: 6-(4-bromophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0196
6-(4-bromophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-2,3-dihydropyridazin-3-one

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

Y041-0196

Molecular Formula

C21H18BrN3O2 (C21 H18 BrN3 O2)

Compound Name

6-(4-bromophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-2,3-dihydropyridazin-3-one

IUPAC name

6-(4-bromophenyl)-2-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-23-dihydropyridazin-3-one

SMILES

O=C(CN(C(C=C1)=O)N=C1c(cc1)ccc1Br)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H18BrN3O2/c22-18-7-5-16(6-8-18)19-9-10-20(26)25(23-19)14-21(27)24-12-11-15-3-1-2-4-17(15)13-24/h1-10H,11-14H2

InChI Key

GRYZFGRSVJQFPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18068829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.3

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

3.754

Distribution Coefficient, logD

3.754

Water Solubility, LogSw

-4.13

Polar Surface Area

44.602

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with Y041-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0196?
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What is the minimum amount of Y041-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0196
  • 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 Y041-0196 available by request