F294-0041 Screening compound: 2-(4-benzylpiperidin-1-yl)-5-(2,4,6-trimethylbenzenesulfonamido)benzoic acid

F294-0041 Screening compound: 2-(4-benzylpiperidin-1-yl)-5-(2,4,6-trimethylbenzenesulfonamido)benzoic acid
F294-0041 Screening compound: 2-(4-benzylpiperidin-1-yl)-5-(2,4,6-trimethylbenzenesulfonamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F294-0041
2-(4-benzylpiperidin-1-yl)-5-(2,4,6-trimethylbenzenesulfonamido)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

F294-0041

Molecular Formula

C28H32N2O4S (C28 H32 N2 O4 S)

Compound Name

2-(4-benzylpiperidin-1-yl)-5-(2,4,6-trimethylbenzenesulfonamido)benzoic acid

IUPAC name

2-(4-benzylpiperidin-1-yl)-5-(246-trimethylbenzenesulfonamido)benzoic acid

SMILES

Cc(cc1C)cc(C)c1S(Nc(cc1)cc(C(O)=O)c1N1CCC(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C28H32N2O4S/c1-19-15-20(2)27(21(3)16-19)35(33,34)29-24-9-10-26(25(18-24)28(31)32)30-13-11-23(12-14-30)17-22-7-5-4-6-8-22/h4-10,15-16,18,23,29H,11-14,17H2,1-3H3,(H,31,32)

InChI Key

UMBNIJVYQQVQTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14947778

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

492.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.169

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-5.58

Polar Surface Area

72.176

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

F294-0041 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F294-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F294-0041?
Check Price and Availability of F294-0041, 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 F294-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F294-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F294-0041
  • 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 F294-0041 available by request