S553-0094 Screening compound: 2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one

S553-0094 Screening compound: 2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one
S553-0094 Screening compound: 2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0094
2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one

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

S553-0094

Molecular Formula

C13H13ClN2O2 (C13 H13 ClN2 O2)

Compound Name

2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one

IUPAC name

2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methyl-34-dihydropyrimidin-4-one

SMILES

CC(N=C(c(cc1)ccc1Cl)N1)=C(CCO)C1=O

InChI

InChI=1S/C13H13ClN2O2/c1-8-11(6-7-17)13(18)16-12(15-8)9-2-4-10(14)5-3-9/h2-5,17H,6-7H2,1H3,(H,15,16,18)

InChI Key

AWQUQJJDDDJRMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18915343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.452

Distribution Coefficient, logD

0.351

Water Solubility, LogSw

-2.73

Polar Surface Area

51.198

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

S553-0094 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with S553-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0094?
Check Price and Availability of S553-0094, 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 S553-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0094
  • 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 S553-0094 available by request