F870-0385 Screening compound: 4-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

F870-0385 Screening compound: 4-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide
F870-0385 Screening compound: 4-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F870-0385
4-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

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

F870-0385

Molecular Formula

C25H21FN4OS (C25 H21 FN4 OS)

Compound Name

4-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

IUPAC name

4-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}-N-{[4-(methylsulfanyl)phenyl]methyl}benzamide

SMILES

CSc1ccc(CNC(c(cc2)ccc2Nc2nc(-c(cc3)ccc3F)ncc2)=O)cc1

InChI

InChI=1S/C25H21FN4OS/c1-32-22-12-2-17(3-13-22)16-28-25(31)19-6-10-21(11-7-19)29-23-14-15-27-24(30-23)18-4-8-20(26)9-5-18/h2-15H,16H2,1H3,(H,28,31)(H,27,29,30)

InChI Key

LTMOMVJCCRBGPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27200913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.333

Distribution Coefficient, logD

5.287

Water Solubility, LogSw

-5.34

Polar Surface Area

52.863

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F870-0385 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

C-Met Library (15277 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F870-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F870-0385?
Check Price and Availability of F870-0385, 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 F870-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F870-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F870-0385
  • 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 F870-0385 available by request