Y020-6304 Screening compound: ethyl 6-(3-methoxyphenyl)-4-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate

Y020-6304 Screening compound: ethyl 6-(3-methoxyphenyl)-4-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Y020-6304 Screening compound: ethyl 6-(3-methoxyphenyl)-4-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6304
ethyl 6-(3-methoxyphenyl)-4-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,4,5,6-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

Y020-6304

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

ethyl 6-(3-methoxyphenyl)-4-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-(3-methoxyphenyl)-4-oxo-2-(1234-tetrahydroisoquinolin-2-yl)-1456-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cc(OC)ccc1)NC(N(CC1)Cc2c1cccc2)=N1)C1=O)=O

InChI

InChI=1S/C23H25N3O4/c1-3-30-22(28)19-20(16-9-6-10-18(13-16)29-2)24-23(25-21(19)27)26-12-11-15-7-4-5-8-17(15)14-26/h4-10,13,19-20H,3,11-12,14H2,1-2H3,(H,24,25,27)

InChI Key

GVHHKAKNXSXCRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09463474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.34

Polar Surface Area

66.629

Acid Dissociation Constant (pKa)

4.44

Base Dissociation Constant (pKb)

10.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

Y020-6304 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y020-6304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6304?
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What is the minimum amount of Y020-6304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6304
  • 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 Y020-6304 available by request