8020-4594 Screening compound: methyl 4-(2,5-dimethylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4594 Screening compound: methyl 4-(2,5-dimethylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4594 Screening compound: methyl 4-(2,5-dimethylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4594
methyl 4-(2,5-dimethylphenyl)-6-[(4-methylpiperazin-1-yl)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

8020-4594

Molecular Formula

C20H28N4O3 (C20 H28 N4 O3)

Compound Name

methyl 4-(2,5-dimethylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-(25-dimethylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

Cc1cc(C(C(C(OC)=O)=C(CN2CCN(C)CC2)N2)NC2=O)c(C)cc1

InChI

InChI=1S/C20H28N4O3/c1-13-5-6-14(2)15(11-13)18-17(19(25)27-4)16(21-20(26)22-18)12-24-9-7-23(3)8-10-24/h5-6,11,18H,7-10,12H2,1-4H3,(H2,21,22,26)/t18-/m1/s1

InChI Key

IGNLOOAZAODDDN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06630808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.551

Distribution Coefficient, logD

1.551

Water Solubility, LogSw

-2.19

Polar Surface Area

64.682

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8020-4594 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-4594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4594?
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What is the minimum amount of 8020-4594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4594
  • 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 8020-4594 available by request