Y041-5191 Screening compound: 2-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-6-(4-methoxyphenyl)-2,3-dihydropyridazin-3-one

Y041-5191 Screening compound: 2-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-6-(4-methoxyphenyl)-2,3-dihydropyridazin-3-one
Y041-5191 Screening compound: 2-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-6-(4-methoxyphenyl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5191
2-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-6-(4-methoxyphenyl)-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

Y041-5191

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

2-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-6-(4-methoxyphenyl)-2,3-dihydropyridazin-3-one

IUPAC name

2-{2-[(4aS8aS)-4a-hydroxy-decahydroisoquinolin-2-yl]-2-oxoethyl}-6-(4-methoxyphenyl)-23-dihydropyridazin-3-one

SMILES

COc(cc1)ccc1C(C=C1)=NN(CC(N(CC2)C[C@H](CCCC3)[C@]23O)=O)C1=O

InChI

InChI=1S/C22H27N3O4/c1-29-18-7-5-16(6-8-18)19-9-10-20(26)25(23-19)15-21(27)24-13-12-22(28)11-3-2-4-17(22)14-24/h5-10,17,28H,2-4,11-15H2,1H3/t17-,22-/m0/s1

InChI Key

CVDHZQWPPPILQV-JTSKRJEESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.127

Distribution Coefficient, logD

2.127

Water Solubility, LogSw

-2.44

Polar Surface Area

67.356

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

Y041-5191 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-5191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5191?
Check Price and Availability of Y041-5191, 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 Y041-5191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5191
  • 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 Y041-5191 available by request