D058-0095 Screening compound: 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide

D058-0095 Screening compound: 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
D058-0095 Screening compound: 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0095
2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)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

D058-0095

Molecular Formula

C22H23N3O2S (C22 H23 N3 O2 S)

Compound Name

2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide

IUPAC name

2-[(5-benzyl-4-methyl-6-oxo-16-dihydropyrimidin-2-yl)sulfanyl]-N-(23-dimethylphenyl)acetamide

SMILES

Cc1cccc(NC(CSC(N2)=NC(C)=C(Cc3ccccc3)C2=O)=O)c1C

InChI

InChI=1S/C22H23N3O2S/c1-14-8-7-11-19(15(14)2)24-20(26)13-28-22-23-16(3)18(21(27)25-22)12-17-9-5-4-6-10-17/h4-11H,12-13H2,1-3H3,(H,24,26)(H,23,25,27)

InChI Key

ZUGDCLNZORPSNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.95

Polar Surface Area

56.333

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D058-0095 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with D058-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0095?
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What is the minimum amount of D058-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0095
  • 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 D058-0095 available by request