5157-0039 Screening compound: 2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide

5157-0039 Screening compound: 2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
5157-0039 Screening compound: 2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5157-0039
2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)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

5157-0039

Molecular Formula

C19H18N4O2S (C19 H18 N4 O2 S)

Compound Name

2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide

IUPAC name

2-[(6-amino-4-oxo-1-phenyl-14-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CSC(N(c1ccccc1)C(N)=C1)=NC1=O)=O

InChI

InChI=1S/C19H18N4O2S/c1-13-7-9-14(10-8-13)21-18(25)12-26-19-22-17(24)11-16(20)23(19)15-5-3-2-4-6-15/h2-11H,12,20H2,1H3,(H,21,25)

InChI Key

HTHOSORJNHENAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02056521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.298

Distribution Coefficient, logD

2.298

Water Solubility, LogSw

-2.75

Polar Surface Area

67.351

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5157-0039 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 5157-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5157-0039?
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What is the minimum amount of 5157-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5157-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5157-0039
  • 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 5157-0039 available by request