F653-0180 Screening compound: N-{2,4-bis[(4-methoxyphenyl)amino]-6-methylpyrimidin-5-yl}-2-methylpropanamide

F653-0180 Screening compound: N-{2,4-bis[(4-methoxyphenyl)amino]-6-methylpyrimidin-5-yl}-2-methylpropanamide
F653-0180 Screening compound: N-{2,4-bis[(4-methoxyphenyl)amino]-6-methylpyrimidin-5-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F653-0180
N-{2,4-bis[(4-methoxyphenyl)amino]-6-methylpyrimidin-5-yl}-2-methylpropanamide

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

F653-0180

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

N-{2,4-bis[(4-methoxyphenyl)amino]-6-methylpyrimidin-5-yl}-2-methylpropanamide

IUPAC name

N-{24-bis[(4-methoxyphenyl)amino]-6-methylpyrimidin-5-yl}-2-methylpropanamide

SMILES

CC(C)C(Nc1c(Nc(cc2)ccc2OC)nc(Nc(cc2)ccc2OC)nc1C)=O

InChI

InChI=1S/C23H27N5O3/c1-14(2)22(29)27-20-15(3)24-23(26-17-8-12-19(31-5)13-9-17)28-21(20)25-16-6-10-18(30-4)11-7-16/h6-14H,1-5H3,(H,27,29)(H2,24,25,26,28)

InChI Key

ZOFRXSCKFLJQTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27183030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.42

Polar Surface Area

76.040

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F653-0180 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with F653-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F653-0180?
Check Price and Availability of F653-0180, 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 F653-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F653-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F653-0180
  • 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 F653-0180 available by request