F447-0435 Screening compound: 6-[4-(2-methylpropyl)benzenesulfonamido]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid

F447-0435 Screening compound: 6-[4-(2-methylpropyl)benzenesulfonamido]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid
F447-0435 Screening compound: 6-[4-(2-methylpropyl)benzenesulfonamido]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F447-0435
6-[4-(2-methylpropyl)benzenesulfonamido]-2-[4-(pyridin-2-yl)piperazin-1-yl]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

F447-0435

Molecular Formula

C29H31N5O4S (C29 H31 N5 O4 S)

Compound Name

6-[4-(2-methylpropyl)benzenesulfonamido]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid

IUPAC name

6-[4-(2-methylpropyl)benzenesulfonamido]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid

SMILES

CC(C)Cc(cc1)ccc1S(Nc(ccc1nc(N(CC2)CCN2c2ncccc2)c2)cc1c2C(O)=O)(=O)=O

InChI

InChI=1S/C29H31N5O4S/c1-20(2)17-21-6-9-23(10-7-21)39(37,38)32-22-8-11-26-24(18-22)25(29(35)36)19-28(31-26)34-15-13-33(14-16-34)27-5-3-4-12-30-27/h3-12,18-20,32H,13-17H2,1-2H3,(H,35,36)

InChI Key

SSMGMPZPFHVUMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954617

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

545.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.844

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-5.64

Polar Surface Area

92.314

Acid Dissociation Constant (pKa)

4.46

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

F447-0435 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F447-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F447-0435?
Check Price and Availability of F447-0435, 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 F447-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F447-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F447-0435
  • 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 F447-0435 available by request