F733-0411 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide

F733-0411 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide
F733-0411 Screening compound: N-[2-(azepan-1-yl)ethyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F733-0411
N-[2-(azepan-1-yl)ethyl]-4-{[6-(4-fluorophenyl)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

F733-0411

Molecular Formula

C25H28FN5O (C25 H28 FN5 O)

Compound Name

N-[2-(azepan-1-yl)ethyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-4-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide

SMILES

O=C(c(cc1)ccc1Nc1cc(-c(cc2)ccc2F)ncn1)NCCN1CCCCCC1

InChI

InChI=1S/C25H28FN5O/c26-21-9-5-19(6-10-21)23-17-24(29-18-28-23)30-22-11-7-20(8-12-22)25(32)27-13-16-31-14-3-1-2-4-15-31/h5-12,17-18H,1-4,13-16H2,(H,27,32)(H,28,29,30)

InChI Key

HOMOSFKQOBFYCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

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

4.636

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-4.48

Polar Surface Area

57.825

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F733-0411 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F733-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F733-0411?
Check Price and Availability of F733-0411, 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 F733-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F733-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F733-0411
  • 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 F733-0411 available by request