8016-2122 Screening compound: N-(2-methoxybenzoyl)-N'-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]urea

8016-2122 Screening compound: N-(2-methoxybenzoyl)-N'-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]urea
8016-2122 Screening compound: N-(2-methoxybenzoyl)-N'-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2122
N-(2-methoxybenzoyl)-N'-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]urea

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

8016-2122

Molecular Formula

C20H15F3N4O3 (C20 H15 F3 N4 O3)

Compound Name

N-(2-methoxybenzoyl)-N'-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]urea

IUPAC name

1-(2-methoxybenzoyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]urea

SMILES

COc(cccc1)c1C(NC(Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1)=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-4.50

Polar Surface Area

73.784

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8016-2122 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2122?
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What is the minimum amount of 8016-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2122
  • 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 8016-2122 available by request