F725-0028 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide

F725-0028 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
F725-0028 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F725-0028
N-(2H-1,3-benzodioxol-5-yl)-3-{[6-(3-methylphenyl)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

F725-0028

Molecular Formula

C25H20N4O3 (C25 H20 N4 O3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide

SMILES

Cc1cccc(-c2cc(Nc3cccc(C(Nc(cc4)cc5c4OCO5)=O)c3)ncn2)c1

InChI

InChI=1S/C25H20N4O3/c1-16-4-2-5-17(10-16)21-13-24(27-14-26-21)28-19-7-3-6-18(11-19)25(30)29-20-8-9-22-23(12-20)32-15-31-22/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)

InChI Key

NYSHMDAZOSHKBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27188073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.647

Distribution Coefficient, logD

5.443

Water Solubility, LogSw

-5.52

Polar Surface Area

69.463

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F725-0028 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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 F725-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F725-0028?
Check Price and Availability of F725-0028, 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 F725-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F725-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F725-0028
  • 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 F725-0028 available by request