F685-0176 Screening compound: 5-(4-benzylpiperidin-1-yl)-2-(4-chlorobenzamido)benzoic acid

F685-0176 Screening compound: 5-(4-benzylpiperidin-1-yl)-2-(4-chlorobenzamido)benzoic acid
F685-0176 Screening compound: 5-(4-benzylpiperidin-1-yl)-2-(4-chlorobenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F685-0176
5-(4-benzylpiperidin-1-yl)-2-(4-chlorobenzamido)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

F685-0176

Molecular Formula

C26H25ClN2O3 (C26 H25 ClN2 O3)

Compound Name

5-(4-benzylpiperidin-1-yl)-2-(4-chlorobenzamido)benzoic acid

IUPAC name

5-(4-benzylpiperidin-1-yl)-2-(4-chlorobenzamido)benzoic acid

SMILES

OC(c(cc(cc1)N2CCC(Cc3ccccc3)CC2)c1NC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C26H25ClN2O3/c27-21-8-6-20(7-9-21)25(30)28-24-11-10-22(17-23(24)26(31)32)29-14-12-19(13-15-29)16-18-4-2-1-3-5-18/h1-11,17,19H,12-16H2,(H,28,30)(H,31,32)

InChI Key

MIVHEHZHJOXXBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27184658

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

448.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.099

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-5.92

Polar Surface Area

54.221

Acid Dissociation Constant (pKa)

2.57

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F685-0176 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F685-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F685-0176?
Check Price and Availability of F685-0176, 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 F685-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F685-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F685-0176
  • 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 F685-0176 available by request