8020-4541 Screening compound: ethyl 6-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4541 Screening compound: ethyl 6-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4541 Screening compound: ethyl 6-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4541
ethyl 6-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-4-(4-methylphenyl)-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

8020-4541

Molecular Formula

C17H20N6O3S (C17 H20 N6 O3 S)

Compound Name

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

IUPAC name

ethyl 6-{[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]methyl}-4-(4-methylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccc(C)cc1)N1)=C(CSc2nnnn2C)NC1=O)=O

InChI

InChI=1S/C17H20N6O3S/c1-4-26-15(24)13-12(9-27-17-20-21-22-23(17)3)18-16(25)19-14(13)11-7-5-10(2)6-8-11/h5-8,14H,4,9H2,1-3H3,(H2,18,19,25)/t14-/m1/s1

InChI Key

MOEHXLPEOJZYRQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD07155734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.45

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

1.752

Distribution Coefficient, logD

1.533

Water Solubility, LogSw

-2.50

Polar Surface Area

97.124

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

8020-4541 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 8020-4541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4541?
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What is the minimum amount of 8020-4541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4541
  • 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 8020-4541 available by request