F686-0886 Screening compound: 2-(4-ethylbenzenesulfonamido)-5-(4-methylpiperidin-1-yl)benzoic acid

F686-0886 Screening compound: 2-(4-ethylbenzenesulfonamido)-5-(4-methylpiperidin-1-yl)benzoic acid
F686-0886 Screening compound: 2-(4-ethylbenzenesulfonamido)-5-(4-methylpiperidin-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F686-0886
2-(4-ethylbenzenesulfonamido)-5-(4-methylpiperidin-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

F686-0886

Molecular Formula

C21H26N2O4S (C21 H26 N2 O4 S)

Compound Name

2-(4-ethylbenzenesulfonamido)-5-(4-methylpiperidin-1-yl)benzoic acid

IUPAC name

2-(4-ethylbenzenesulfonamido)-5-(4-methylpiperidin-1-yl)benzoic acid

SMILES

CCc(cc1)ccc1S(Nc(ccc(N1CCC(C)CC1)c1)c1C(O)=O)(=O)=O

InChI

InChI=1S/C21H26N2O4S/c1-3-16-4-7-18(8-5-16)28(26,27)22-20-9-6-17(14-19(20)21(24)25)23-12-10-15(2)11-13-23/h4-9,14-15,22H,3,10-13H2,1-2H3,(H,24,25)

InChI Key

GGEQCGMSULKOJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.652

Distribution Coefficient, logD

0.767

Water Solubility, LogSw

-4.17

Polar Surface Area

72.051

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F686-0886 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F686-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F686-0886?
Check Price and Availability of F686-0886, 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 F686-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F686-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F686-0886
  • 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 F686-0886 available by request