F725-0966 Screening compound: 3-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-(4-phenoxyphenyl)benzamide

F725-0966 Screening compound: 3-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-(4-phenoxyphenyl)benzamide
F725-0966 Screening compound: 3-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-(4-phenoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F725-0966
3-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-(4-phenoxyphenyl)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

F725-0966

Molecular Formula

C29H21FN4O2 (C29 H21 FN4 O2)

Compound Name

3-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-(4-phenoxyphenyl)benzamide

IUPAC name

3-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-(4-phenoxyphenyl)benzamide

SMILES

O=C(c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C29H21FN4O2/c30-22-8-4-6-20(16-22)27-18-28(32-19-31-27)33-24-9-5-7-21(17-24)29(35)34-23-12-14-26(15-13-23)36-25-10-2-1-3-11-25/h1-19H,(H,34,35)(H,31,32,33)

InChI Key

JKFKXPTVPJJFTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.256

Distribution Coefficient, logD

7.190

Water Solubility, LogSw

-6.23

Polar Surface Area

59.095

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

F725-0966 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F725-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F725-0966?
Check Price and Availability of F725-0966, 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 F725-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F725-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F725-0966
  • 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 F725-0966 available by request