D058-0118 Screening compound: 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide

D058-0118 Screening compound: 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
D058-0118 Screening compound: 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0118
2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3,4-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

D058-0118

Molecular Formula

C22H23N3O2S (C22 H23 N3 O2 S)

Compound Name

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

IUPAC name

2-[(5-benzyl-4-methyl-6-oxo-16-dihydropyrimidin-2-yl)sulfanyl]-N-(34-dimethylphenyl)acetamide

SMILES

Cc(cc1)c(C)cc1NC(CSC(N1)=NC(C)=C(Cc2ccccc2)C1=O)=O

InChI

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

InChI Key

WBPCRVMRAAMQSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838197

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

4.114

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.21

Polar Surface Area

57.030

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D058-0118 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D058-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0118?
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What is the minimum amount of D058-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0118
  • 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 D058-0118 available by request