8020-4446 Screening compound: methyl 4-(4-chlorophenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4446 Screening compound: methyl 4-(4-chlorophenyl)-6-{[(1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4446 Screening compound: methyl 4-(4-chlorophenyl)-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 8020-4446
methyl 4-(4-chlorophenyl)-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

8020-4446

Molecular Formula

C16H16ClN5O3S (C16 H16 ClN5 O3 S)

Compound Name

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

SMILES

Cn1ncnc1SCC(NC(NC1c(cc2)ccc2Cl)=O)=C1C(OC)=O

InChI

InChI=1S/C16H16ClN5O3S/c1-22-16(18-8-19-22)26-7-11-12(14(23)25-2)13(21-15(24)20-11)9-3-5-10(17)6-4-9/h3-6,8,13H,7H2,1-2H3,(H2,20,21,24)/t13-/m0/s1

InChI Key

USAHGLLRLSMCAQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD07155707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.758

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-2.99

Polar Surface Area

83.067

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8020-4446 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 8020-4446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4446?
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What is the minimum amount of 8020-4446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4446
  • 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 8020-4446 available by request