F684-0208 Screening compound: 5-{4-[(dimethylcarbamoyl)methyl]piperazin-1-yl}-2-methanesulfonamidobenzoic acid

F684-0208 Screening compound: 5-{4-[(dimethylcarbamoyl)methyl]piperazin-1-yl}-2-methanesulfonamidobenzoic acid
F684-0208 Screening compound: 5-{4-[(dimethylcarbamoyl)methyl]piperazin-1-yl}-2-methanesulfonamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F684-0208
5-{4-[(dimethylcarbamoyl)methyl]piperazin-1-yl}-2-methanesulfonamidobenzoic 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

F684-0208

Molecular Formula

C16H24N4O5S (C16 H24 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H24N4O5S/c1-18(2)15(21)11-19-6-8-20(9-7-19)12-4-5-14(17-26(3,24)25)13(10-12)16(22)23/h4-5,10,17H,6-9,11H2,1-3H3,(H,22,23)

InChI Key

KEUGXKQTXUZNBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27184562

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.577

Distribution Coefficient, logD

-4.748

Water Solubility, LogSw

-2.32

Polar Surface Area

92.554

Acid Dissociation Constant (pKa)

3.23

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F684-0208 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 F684-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F684-0208?
Check Price and Availability of F684-0208, 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 F684-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F684-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F684-0208
  • 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 F684-0208 available by request