F447-0284 Screening compound: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-cyclohexylbenzenesulfonamido)quinoline-4-carboxylic acid

F447-0284 Screening compound: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-cyclohexylbenzenesulfonamido)quinoline-4-carboxylic acid
F447-0284 Screening compound: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-cyclohexylbenzenesulfonamido)quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F447-0284
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-cyclohexylbenzenesulfonamido)quinoline-4-carboxylic acid

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

F447-0284

Molecular Formula

C29H33N5O4S (C29 H33 N5 O4 S)

Compound Name

2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-cyclohexylbenzenesulfonamido)quinoline-4-carboxylic acid

IUPAC name

2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-cyclohexylbenzenesulfonamido)quinoline-4-carboxylic acid

SMILES

N#CCCN(CC1)CCN1c1cc(C(O)=O)c(cc(cc2)NS(c3ccc(C4CCCCC4)cc3)(=O)=O)c2n1

InChI

InChI=1S/C29H33N5O4S/c30-13-4-14-33-15-17-34(18-16-33)28-20-26(29(35)36)25-19-23(9-12-27(25)31-28)32-39(37,38)24-10-7-22(8-11-24)21-5-2-1-3-6-21/h7-12,19-21,32H,1-6,14-18H2,(H,35,36)

InChI Key

BDPFCRKICPPBPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954559

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

547.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.680

Distribution Coefficient, logD

2.736

Water Solubility, LogSw

-5.68

Polar Surface Area

101.746

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.38

F447-0284 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleic Acid Ligands (8311 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F447-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F447-0284?
Check Price and Availability of F447-0284, 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 F447-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F447-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F447-0284
  • 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 F447-0284 available by request