F684-0088 Screening compound: 2-benzenesulfonamido-5-{4-[(dimethylcarbamoyl)methyl]piperazin-1-yl}benzoic acid

F684-0088 Screening compound: 2-benzenesulfonamido-5-{4-[(dimethylcarbamoyl)methyl]piperazin-1-yl}benzoic acid
F684-0088 Screening compound: 2-benzenesulfonamido-5-{4-[(dimethylcarbamoyl)methyl]piperazin-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F684-0088
2-benzenesulfonamido-5-{4-[(dimethylcarbamoyl)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

F684-0088

Molecular Formula

C21H26N4O5S (C21 H26 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(CN(CC1)CCN1c(cc1)cc(C(O)=O)c1NS(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C21H26N4O5S/c1-23(2)20(26)15-24-10-12-25(13-11-24)16-8-9-19(18(14-16)21(27)28)22-31(29,30)17-6-4-3-5-7-17/h3-9,14,22H,10-13,15H2,1-2H3,(H,27,28)

InChI Key

KLPPSJFYDKXLQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27184508

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.922

Distribution Coefficient, logD

-2.962

Water Solubility, LogSw

-2.63

Polar Surface Area

91.336

Acid Dissociation Constant (pKa)

3.52

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F684-0088 in Drug Discovery

Included in Screening Libraries

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 F684-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F684-0088?
Check Price and Availability of F684-0088, 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 F684-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F684-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F684-0088
  • 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 F684-0088 available by request