C561-2744 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C561-2744 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C561-2744 Screening compound: ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2744
ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

C561-2744

Molecular Formula

C25H29N3O5 (C25 H29 N3 O5)

Compound Name

ethyl 4-(2,3-dimethoxyphenyl)-2-oxo-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(23-dimethoxyphenyl)-2-oxo-6-[(1234-tetrahydroisoquinolin-2-yl)methyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1)=C(CN(CC2)Cc3c2cccc3)NC1=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.32

Polar Surface Area

75.794

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

C561-2744 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C561-2744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2744?
Check Price and Availability of C561-2744, 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 C561-2744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2744
  • 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 C561-2744 available by request