F684-0404 Screening compound: 2-(4-ethylbenzenesulfonamido)-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid

F684-0404 Screening compound: 2-(4-ethylbenzenesulfonamido)-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid
F684-0404 Screening compound: 2-(4-ethylbenzenesulfonamido)-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F684-0404
2-(4-ethylbenzenesulfonamido)-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic 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

F684-0404

Molecular Formula

C26H28FN3O4S (C26 H28 FN3 O4 S)

Compound Name

2-(4-ethylbenzenesulfonamido)-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid

IUPAC name

2-(4-ethylbenzenesulfonamido)-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid

SMILES

CCc(cc1)ccc1S(Nc(ccc(N1CCN(Cc(cccc2)c2F)CC1)c1)c1C(O)=O)(=O)=O

InChI

InChI=1S/C26H28FN3O4S/c1-2-19-7-10-22(11-8-19)35(33,34)28-25-12-9-21(17-23(25)26(31)32)30-15-13-29(14-16-30)18-20-5-3-4-6-24(20)27/h3-12,17,28H,2,13-16,18H2,1H3,(H,31,32)

InChI Key

ZLDGKPDORSVAMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962681

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

497.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

1.047

Water Solubility, LogSw

-4.30

Polar Surface Area

75.591

Acid Dissociation Constant (pKa)

3.52

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

F684-0404 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F684-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F684-0404?
Check Price and Availability of F684-0404, 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 F684-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F684-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F684-0404
  • 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 F684-0404 available by request