F653-0090 Screening compound: N-{2,4-bis[(4-ethylphenyl)amino]-6-methylpyrimidin-5-yl}-3-fluorobenzamide

F653-0090 Screening compound: N-{2,4-bis[(4-ethylphenyl)amino]-6-methylpyrimidin-5-yl}-3-fluorobenzamide
F653-0090 Screening compound: N-{2,4-bis[(4-ethylphenyl)amino]-6-methylpyrimidin-5-yl}-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F653-0090
N-{2,4-bis[(4-ethylphenyl)amino]-6-methylpyrimidin-5-yl}-3-fluorobenzamide

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

F653-0090

Molecular Formula

C28H28FN5O (C28 H28 FN5 O)

Compound Name

N-{2,4-bis[(4-ethylphenyl)amino]-6-methylpyrimidin-5-yl}-3-fluorobenzamide

IUPAC name

N-{24-bis[(4-ethylphenyl)amino]-6-methylpyrimidin-5-yl}-3-fluorobenzamide

SMILES

CCc(cc1)ccc1Nc(nc(Nc1ccc(CC)cc1)nc1C)c1NC(c1cccc(F)c1)=O

InChI

InChI=1S/C28H28FN5O/c1-4-19-9-13-23(14-10-19)31-26-25(33-27(35)21-7-6-8-22(29)17-21)18(3)30-28(34-26)32-24-15-11-20(5-2)12-16-24/h6-17H,4-5H2,1-3H3,(H,33,35)(H2,30,31,32,34)

InChI Key

JSFUVFSPYYEKPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.028

Distribution Coefficient, logD

6.908

Water Solubility, LogSw

-5.65

Polar Surface Area

60.681

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

F653-0090 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F653-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F653-0090?
Check Price and Availability of F653-0090, 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 F653-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F653-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F653-0090
  • 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 F653-0090 available by request