000S-0348 Screening compound: 2-(4-bromophenyl)-6-phenyl-3,4-dihydropyrimidin-4-one

000S-0348 Screening compound: 2-(4-bromophenyl)-6-phenyl-3,4-dihydropyrimidin-4-one
000S-0348 Screening compound: 2-(4-bromophenyl)-6-phenyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 000S-0348
2-(4-bromophenyl)-6-phenyl-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

000S-0348

Molecular Formula

C16H11BrN2O (C16 H11 BrN2 O)

Compound Name

2-(4-bromophenyl)-6-phenyl-3,4-dihydropyrimidin-4-one

IUPAC name

2-(4-bromophenyl)-6-phenyl-34-dihydropyrimidin-4-one

SMILES

O=C1NC(c(cc2)ccc2Br)=NC(c2ccccc2)=C1

InChI

InChI=1S/C16H11BrN2O/c17-13-8-6-12(7-9-13)16-18-14(10-15(20)19-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)

InChI Key

NWLGEROFKWQNOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.18

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-4.14

Polar Surface Area

34.920

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

000S-0348 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Proline Kinase Library (2105 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
  • Epigenetic
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with 000S-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000S-0348?
Check Price and Availability of 000S-0348, 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 000S-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000S-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000S-0348
  • 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 000S-0348 available by request