3398-0040 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

3398-0040 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
3398-0040 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3398-0040
2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

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

3398-0040

Molecular Formula

C19H16ClN3O3S (C19 H16 ClN3 O3 S)

Compound Name

2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

IUPAC name

2-[(5-benzyl-46-dioxo-1456-tetrahydropyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

SMILES

O=C(CSC(NC(C1Cc2ccccc2)=O)=NC1=O)Nc1cccc(Cl)c1

InChI

InChI=1S/C19H16ClN3O3S/c20-13-7-4-8-14(10-13)21-16(24)11-27-19-22-17(25)15(18(26)23-19)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2,(H,21,24)(H,22,23,25,26)

InChI Key

IIFFBRAAJMQWBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

-3.315

Water Solubility, LogSw

-3.48

Polar Surface Area

71.172

Acid Dissociation Constant (pKa)

1.00

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

3398-0040 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3398-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3398-0040?
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What is the minimum amount of 3398-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3398-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3398-0040
  • 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 3398-0040 available by request