8020-4458 Screening compound: methyl 4-(3-methoxyphenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4458 Screening compound: methyl 4-(3-methoxyphenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4458 Screening compound: methyl 4-(3-methoxyphenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4458
methyl 4-(3-methoxyphenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-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

8020-4458

Molecular Formula

C17H19N5O4S (C17 H19 N5 O4 S)

Compound Name

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

IUPAC name

methyl 4-(3-methoxyphenyl)-6-{[(1-methyl-1H-124-triazol-5-yl)sulfanyl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

Cn1ncnc1SCC(NC(NC1c2cc(OC)ccc2)=O)=C1C(OC)=O

InChI

InChI=1S/C17H19N5O4S/c1-22-17(18-9-19-22)27-8-12-13(15(23)26-3)14(21-16(24)20-12)10-5-4-6-11(7-10)25-2/h4-7,9,14H,8H2,1-3H3,(H2,20,21,24)/t14-/m1/s1

InChI Key

XURBTKTYXWAGDK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD07155723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.283

Distribution Coefficient, logD

1.074

Water Solubility, LogSw

-2.39

Polar Surface Area

90.611

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

8020-4458 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 8020-4458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4458?
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What is the minimum amount of 8020-4458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4458
  • 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 8020-4458 available by request