8020-4621 Screening compound: methyl 4-(2,4-dimethylphenyl)-6-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4621 Screening compound: methyl 4-(2,4-dimethylphenyl)-6-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4621 Screening compound: methyl 4-(2,4-dimethylphenyl)-6-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4621
methyl 4-(2,4-dimethylphenyl)-6-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]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

8020-4621

Molecular Formula

C23H24N4O3S (C23 H24 N4 O3 S)

Compound Name

methyl 4-(2,4-dimethylphenyl)-6-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 4-(24-dimethylphenyl)-6-{[(5-methyl-1H-13-benzodiazol-2-yl)sulfanyl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

Cc(cc1)cc2c1[nH]c(SCC(NC(NC1c3c(C)cc(C)cc3)=O)=C1C(OC)=O)n2

InChI

InChI=1S/C23H24N4O3S/c1-12-5-7-15(14(3)9-12)20-19(21(28)30-4)18(24-22(29)27-20)11-31-23-25-16-8-6-13(2)10-17(16)26-23/h5-10,20H,11H2,1-4H3,(H,25,26)(H2,24,27,29)/t20-/m1/s1

InChI Key

MUDGESLWNVOZBT-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07048884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.225

Distribution Coefficient, logD

4.026

Water Solubility, LogSw

-4.25

Polar Surface Area

75.214

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

8020-4621 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 8020-4621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4621?
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What is the minimum amount of 8020-4621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4621
  • 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 8020-4621 available by request