Y043-8647 Screening compound: N~4~-(2-methoxyphenethyl)-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

Y043-8647 Screening compound: N~4~-(2-methoxyphenethyl)-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
Y043-8647 Screening compound: N~4~-(2-methoxyphenethyl)-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8647
N~4~-(2-methoxyphenethyl)-2-methyl-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

Y043-8647

Molecular Formula

C20H20N2O3 (C20 H20 N2 O3)

Compound Name

N~4~-(2-methoxyphenethyl)-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

IUPAC name

N-[2-(2-methoxyphenyl)ethyl]-2-methyl-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CN(C=C(C(NCCc(cccc1)c1OC)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C20H20N2O3/c1-22-13-17(15-8-4-5-9-16(15)20(22)24)19(23)21-12-11-14-7-3-6-10-18(14)25-2/h3-10,13H,11-12H2,1-2H3,(H,21,23)

InChI Key

MJBQBJJRWXXHAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19710709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.753

Distribution Coefficient, logD

1.753

Water Solubility, LogSw

-2.43

Polar Surface Area

48.072

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y043-8647 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 Y043-8647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8647?
Check Price and Availability of Y043-8647, 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 Y043-8647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8647
  • 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 Y043-8647 available by request