8020-4513 Screening compound: methyl 6-[(4-methoxyphenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4513 Screening compound: methyl 6-[(4-methoxyphenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4513 Screening compound: methyl 6-[(4-methoxyphenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4513
methyl 6-[(4-methoxyphenoxy)methyl]-4-(4-methoxyphenyl)-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

8020-4513

Molecular Formula

C21H22N2O6 (C21 H22 N2 O6)

Compound Name

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

IUPAC name

methyl 6-[(4-methoxyphenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

COC(C(C(c(cc1)ccc1OC)N1)=C(COc(cc2)ccc2OC)NC1=O)=O

InChI

InChI=1S/C21H22N2O6/c1-26-14-6-4-13(5-7-14)19-18(20(24)28-3)17(22-21(25)23-19)12-29-16-10-8-15(27-2)9-11-16/h4-11,19H,12H2,1-3H3,(H2,22,23,25)/t19-/m1/s1

InChI Key

DAMZGDLRWJEGHT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07155570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

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

2.623

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-3.05

Polar Surface Area

79.787

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

8020-4513 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-4513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4513?
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What is the minimum amount of 8020-4513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4513
  • 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 8020-4513 available by request