F653-0028 Screening compound: 2-(4-chlorophenoxy)-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}acetamide

F653-0028 Screening compound: 2-(4-chlorophenoxy)-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}acetamide
F653-0028 Screening compound: 2-(4-chlorophenoxy)-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F653-0028
2-(4-chlorophenoxy)-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}acetamide

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

F653-0028

Molecular Formula

C27H26ClN5O2 (C27 H26 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1Nc(nc(Nc1ccc(C)cc1)nc1C)c1NC(COc(cc1)ccc1Cl)=O

InChI

InChI=1S/C27H26ClN5O2/c1-17-4-10-21(11-5-17)30-26-25(32-24(34)16-35-23-14-8-20(28)9-15-23)19(3)29-27(33-26)31-22-12-6-18(2)7-13-22/h4-15H,16H2,1-3H3,(H,32,34)(H2,29,30,31,33)

InChI Key

RRZNKDUACFSKBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.99

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

6.657

Distribution Coefficient, logD

6.426

Water Solubility, LogSw

-6.30

Polar Surface Area

67.967

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

F653-0028 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F653-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F653-0028?
Check Price and Availability of F653-0028, 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 F653-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F653-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F653-0028
  • 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 F653-0028 available by request