8020-4491 Screening compound: methyl 4-(3,4-dimethoxyphenyl)-6-[(4-methylphenoxy)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4491 Screening compound: methyl 4-(3,4-dimethoxyphenyl)-6-[(4-methylphenoxy)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4491 Screening compound: methyl 4-(3,4-dimethoxyphenyl)-6-[(4-methylphenoxy)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4491
methyl 4-(3,4-dimethoxyphenyl)-6-[(4-methylphenoxy)methyl]-2-oxo-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

8020-4491

Molecular Formula

C22H24N2O6 (C22 H24 N2 O6)

Compound Name

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

IUPAC name

methyl 4-(34-dimethoxyphenyl)-6-[(4-methylphenoxy)methyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

Cc(cc1)ccc1OCC(NC(NC1c(cc2)cc(OC)c2OC)=O)=C1C(OC)=O

InChI

InChI=1S/C22H24N2O6/c1-13-5-8-15(9-6-13)30-12-16-19(21(25)29-4)20(24-22(26)23-16)14-7-10-17(27-2)18(11-14)28-3/h5-11,20H,12H2,1-4H3,(H2,23,24,26)/t20-/m1/s1

InChI Key

KNTFEIHEYUTRBA-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07155546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

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

2.843

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-3.27

Polar Surface Area

79.961

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8020-4491 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 8020-4491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4491?
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What is the minimum amount of 8020-4491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4491
  • 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 8020-4491 available by request