Y044-5728 Screening compound: N~4~-(3,4-dimethoxyphenethyl)-2-(2-methoxyethyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

Y044-5728 Screening compound: N~4~-(3,4-dimethoxyphenethyl)-2-(2-methoxyethyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
Y044-5728 Screening compound: N~4~-(3,4-dimethoxyphenethyl)-2-(2-methoxyethyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5728
N~4~-(3,4-dimethoxyphenethyl)-2-(2-methoxyethyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

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

Y044-5728

Molecular Formula

C23H26N2O5 (C23 H26 N2 O5)

Compound Name

N~4~-(3,4-dimethoxyphenethyl)-2-(2-methoxyethyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-(2-methoxyethyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

COCCN(C=C(C(NCCc(cc1)cc(OC)c1OC)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C23H26N2O5/c1-28-13-12-25-15-19(17-6-4-5-7-18(17)23(25)27)22(26)24-11-10-16-8-9-20(29-2)21(14-16)30-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,26)

InChI Key

STEUEUCNHIKIRT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.181

Distribution Coefficient, logD

1.181

Water Solubility, LogSw

-2.28

Polar Surface Area

64.308

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with Y044-5728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5728?
Check Price and Availability of Y044-5728, 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 Y044-5728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5728
  • 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 Y044-5728 available by request