F733-0698 Screening compound: N-[(4-fluorophenyl)methyl]-4-{[6-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide

F733-0698 Screening compound: N-[(4-fluorophenyl)methyl]-4-{[6-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide
F733-0698 Screening compound: N-[(4-fluorophenyl)methyl]-4-{[6-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F733-0698
N-[(4-fluorophenyl)methyl]-4-{[6-(4-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

F733-0698

Molecular Formula

C25H21FN4O (C25 H21 FN4 O)

Compound Name

N-[(4-fluorophenyl)methyl]-4-{[6-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-{[6-(4-methylphenyl)pyrimidin-4-yl]amino}benzamide

SMILES

Cc(cc1)ccc1-c1cc(Nc(cc2)ccc2C(NCc(cc2)ccc2F)=O)ncn1

InChI

InChI=1S/C25H21FN4O/c1-17-2-6-19(7-3-17)23-14-24(29-16-28-23)30-22-12-8-20(9-13-22)25(31)27-15-18-4-10-21(26)11-5-18/h2-14,16H,15H2,1H3,(H,27,31)(H,28,29,30)

InChI Key

JSDIIUXDNGMUBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

5.008

Water Solubility, LogSw

-5.39

Polar Surface Area

53.670

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F733-0698 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with F733-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F733-0698?
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What is the minimum amount of F733-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F733-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F733-0698
  • 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 F733-0698 available by request