8018-9004 Screening compound: 3-(3-methylpyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

8018-9004 Screening compound: 3-(3-methylpyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]urea
8018-9004 Screening compound: 3-(3-methylpyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9004
3-(3-methylpyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]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

8018-9004

Molecular Formula

C14H12F3N3O (C14 H12 F3 N3 O)

Compound Name

3-(3-methylpyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-(3-methylpyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

SMILES

Cc1cccnc1NC(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C14H12F3N3O/c1-9-4-3-7-18-12(9)20-13(21)19-11-6-2-5-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)

InChI Key

QQXUYDYKAHLXCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00418725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.37

Polar Surface Area

42.229

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8018-9004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-9004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9004?
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What is the minimum amount of 8018-9004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9004
  • 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 8018-9004 available by request