D058-0104 Screening compound: 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide

D058-0104 Screening compound: 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
D058-0104 Screening compound: 2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0104
2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide

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

D058-0104

Molecular Formula

C19H23N3O2S (C19 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N=C(N1)SCC(NC2CCCC2)=O)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C19H23N3O2S/c1-13-16(11-14-7-3-2-4-8-14)18(24)22-19(20-13)25-12-17(23)21-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,21,23)(H,20,22,24)

InChI Key

ZXBFJVVNDNAJLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.48

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

2.567

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-2.86

Polar Surface Area

58.444

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

D058-0104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D058-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0104?
Check Price and Availability of D058-0104, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D058-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0104
  • 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 D058-0104 available by request