F733-0398 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide

F733-0398 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide
F733-0398 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F733-0398
N-[(2,4-dimethoxyphenyl)methyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}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

F733-0398

Molecular Formula

C26H23FN4O3 (C26 H23 FN4 O3)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide

SMILES

COc1cc(OC)c(CNC(c(cc2)ccc2Nc2cc(-c(cc3)ccc3F)ncn2)=O)cc1

InChI

InChI=1S/C26H23FN4O3/c1-33-22-12-7-19(24(13-22)34-2)15-28-26(32)18-5-10-21(11-6-18)31-25-14-23(29-16-30-25)17-3-8-20(27)9-4-17/h3-14,16H,15H2,1-2H3,(H,28,32)(H,29,30,31)

InChI Key

KQSXSYZCVWUBBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27188710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.180

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-5.10

Polar Surface Area

68.844

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

F733-0398 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F733-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F733-0398?
Check Price and Availability of F733-0398, 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 F733-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F733-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F733-0398
  • 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 F733-0398 available by request