K784-1661 Screening compound: 4-{[3-(azepan-1-yl)propyl]amino}-N-(3,5-difluorophenyl)-3-nitrobenzamide

K784-1661 Screening compound: 4-{[3-(azepan-1-yl)propyl]amino}-N-(3,5-difluorophenyl)-3-nitrobenzamide
K784-1661 Screening compound: 4-{[3-(azepan-1-yl)propyl]amino}-N-(3,5-difluorophenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-1661
4-{[3-(azepan-1-yl)propyl]amino}-N-(3,5-difluorophenyl)-3-nitrobenzamide

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

K784-1661

Molecular Formula

C22H26F2N4O3 (C22 H26 F2 N4 O3)

Compound Name

4-{[3-(azepan-1-yl)propyl]amino}-N-(3,5-difluorophenyl)-3-nitrobenzamide

IUPAC name

4-{[3-(azepan-1-yl)propyl]amino}-N-(35-difluorophenyl)-3-nitrobenzamide

SMILES

[O-][N+](c(cc(cc1)C(Nc2cc(F)cc(F)c2)=O)c1NCCCN1CCCCCC1)=O

InChI

InChI=1S/C22H26F2N4O3/c23-17-13-18(24)15-19(14-17)26-22(29)16-6-7-20(21(12-16)28(30)31)25-8-5-11-27-9-3-1-2-4-10-27/h6-7,12-15,25H,1-5,8-11H2,(H,26,29)

InChI Key

DXXGXDYJXUNLTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03019715

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

432.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.763

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.57

Polar Surface Area

70.102

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

K784-1661 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K784-1661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-1661?
Check Price and Availability of K784-1661, 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 K784-1661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-1661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-1661
  • 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 K784-1661 available by request