F733-0968 Screening compound: N-(4-ethoxyphenyl)-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}benzamide

F733-0968 Screening compound: N-(4-ethoxyphenyl)-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}benzamide
F733-0968 Screening compound: N-(4-ethoxyphenyl)-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F733-0968
N-(4-ethoxyphenyl)-4-{[6-(3-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

F733-0968

Molecular Formula

C25H21FN4O2 (C25 H21 FN4 O2)

Compound Name

N-(4-ethoxyphenyl)-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}benzamide

IUPAC name

N-(4-ethoxyphenyl)-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}benzamide

SMILES

CCOc(cc1)ccc1NC(c(cc1)ccc1Nc1cc(-c2cccc(F)c2)ncn1)=O

InChI

InChI=1S/C25H21FN4O2/c1-2-32-22-12-10-21(11-13-22)30-25(31)17-6-8-20(9-7-17)29-24-15-23(27-16-28-24)18-4-3-5-19(26)14-18/h3-16H,2H2,1H3,(H,30,31)(H,27,28,29)

InChI Key

JWDILIYJOJANNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27188779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.634

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-5.48

Polar Surface Area

59.471

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F733-0968 in Drug Discovery

Included in Screening Libraries

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

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F733-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F733-0968?
Check Price and Availability of F733-0968, 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 F733-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F733-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F733-0968
  • 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 F733-0968 available by request