F653-0013 Screening compound: 2-ethoxy-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}benzamide

F653-0013 Screening compound: 2-ethoxy-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}benzamide
F653-0013 Screening compound: 2-ethoxy-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F653-0013
2-ethoxy-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}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

F653-0013

Molecular Formula

C28H29N5O2 (C28 H29 N5 O2)

Compound Name

2-ethoxy-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}benzamide

IUPAC name

2-ethoxy-N-{4-methyl-26-bis[(4-methylphenyl)amino]pyrimidin-5-yl}benzamide

SMILES

CCOc(cccc1)c1C(Nc1c(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)nc1C)=O

InChI

InChI=1S/C28H29N5O2/c1-5-35-24-9-7-6-8-23(24)27(34)32-25-20(4)29-28(31-22-16-12-19(3)13-17-22)33-26(25)30-21-14-10-18(2)11-15-21/h6-17H,5H2,1-4H3,(H,32,34)(H2,29,30,31,33)

InChI Key

GAZBIONFFZSMFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.170

Distribution Coefficient, logD

6.011

Water Solubility, LogSw

-5.58

Polar Surface Area

67.891

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

F653-0013 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F653-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F653-0013?
Check Price and Availability of F653-0013, 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 F653-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F653-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F653-0013
  • 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 F653-0013 available by request