Y043-4697 Screening compound: 5-{2-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-3-(2-methoxybenzyl)-1H-imidazole-2,4(3H,5H)-dione

Y043-4697 Screening compound: 5-{2-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-3-(2-methoxybenzyl)-1H-imidazole-2,4(3H,5H)-dione
Y043-4697 Screening compound: 5-{2-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-3-(2-methoxybenzyl)-1H-imidazole-2,4(3H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4697
5-{2-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-3-(2-methoxybenzyl)-1H-imidazole-2,4(3H,5H)-dione

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

Y043-4697

Molecular Formula

C24H27N3O6 (C24 H27 N3 O6)

Compound Name

5-{2-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-3-(2-methoxybenzyl)-1H-imidazole-2,4(3H,5H)-dione

IUPAC name

5-[2-(67-dimethoxy-1234-tetrahydroisoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-24-dione

SMILES

COc1c(CN(C(C(CC(N(CC2)Cc(cc3OC)c2cc3OC)=O)N2)=O)C2=O)cccc1

InChI

InChI=1S/C24H27N3O6/c1-31-19-7-5-4-6-16(19)14-27-23(29)18(25-24(27)30)12-22(28)26-9-8-15-10-20(32-2)21(33-3)11-17(15)13-26/h4-7,10-11,18H,8-9,12-14H2,1-3H3,(H,25,30)/t18-/m1/s1

InChI Key

ZMGQEXRNVUHQMF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31939125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.825

Distribution Coefficient, logD

1.825

Water Solubility, LogSw

-2.35

Polar Surface Area

80.610

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y043-4697 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-4697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4697?
Check Price and Availability of Y043-4697, 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 Y043-4697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4697
  • 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 Y043-4697 available by request