F447-0578 Screening compound: 6-(2,5-difluorobenzenesulfonamido)-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid

F447-0578 Screening compound: 6-(2,5-difluorobenzenesulfonamido)-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid
F447-0578 Screening compound: 6-(2,5-difluorobenzenesulfonamido)-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F447-0578
6-(2,5-difluorobenzenesulfonamido)-2-[4-(4-methylpentan-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

F447-0578

Molecular Formula

C26H30F2N4O4S (C26 H30 F2 N4 O4 S)

Compound Name

6-(2,5-difluorobenzenesulfonamido)-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid

IUPAC name

6-(25-difluorobenzenesulfonamido)-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid

SMILES

CC(C)CC(C)N(CC1)CCN1c1cc(C(O)=O)c(cc(cc2)NS(c(cc(cc3)F)c3F)(=O)=O)c2n1

InChI

InChI=1S/C26H30F2N4O4S/c1-16(2)12-17(3)31-8-10-32(11-9-31)25-15-21(26(33)34)20-14-19(5-7-23(20)29-25)30-37(35,36)24-13-18(27)4-6-22(24)28/h4-7,13-17,30H,8-12H2,1-3H3,(H,33,34)/t17-/m0/s1

InChI Key

IEAISOOVVZZUDR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14954684

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

532.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-5.48

Polar Surface Area

83.991

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

F447-0578 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with F447-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F447-0578?
Check Price and Availability of F447-0578, 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 F447-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F447-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F447-0578
  • 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 F447-0578 available by request