F447-0639 Screening compound: 2-(4-ethylpiperazin-1-yl)-6-(2,4,5-trimethylbenzenesulfonamido)quinoline-4-carboxylic acid

F447-0639 Screening compound: 2-(4-ethylpiperazin-1-yl)-6-(2,4,5-trimethylbenzenesulfonamido)quinoline-4-carboxylic acid
F447-0639 Screening compound: 2-(4-ethylpiperazin-1-yl)-6-(2,4,5-trimethylbenzenesulfonamido)quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F447-0639
2-(4-ethylpiperazin-1-yl)-6-(2,4,5-trimethylbenzenesulfonamido)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

F447-0639

Molecular Formula

C25H30N4O4S (C25 H30 N4 O4 S)

Compound Name

2-(4-ethylpiperazin-1-yl)-6-(2,4,5-trimethylbenzenesulfonamido)quinoline-4-carboxylic acid

IUPAC name

2-(4-ethylpiperazin-1-yl)-6-(245-trimethylbenzenesulfonamido)quinoline-4-carboxylic acid

SMILES

CCN(CC1)CCN1c1cc(C(O)=O)c(cc(cc2)NS(c3c(C)cc(C)c(C)c3)(=O)=O)c2n1

InChI

InChI=1S/C25H30N4O4S/c1-5-28-8-10-29(11-9-28)24-15-21(25(30)31)20-14-19(6-7-22(20)26-24)27-34(32,33)23-13-17(3)16(2)12-18(23)4/h6-7,12-15,27H,5,8-11H2,1-4H3,(H,30,31)

InChI Key

IACHFVDRWYZAAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27129311

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

482.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.362

Distribution Coefficient, logD

5.362

Water Solubility, LogSw

-5.26

Polar Surface Area

84.080

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

F447-0639 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleic Acid Ligands (8311 compounds)

SH2 Library (10483 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F447-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F447-0639?
Check Price and Availability of F447-0639, 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 F447-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F447-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F447-0639
  • 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 F447-0639 available by request