F345-0199 Screening compound: N-(3-chlorophenyl)-4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]piperidine-1-carboxamide

F345-0199 Screening compound: N-(3-chlorophenyl)-4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]piperidine-1-carboxamide
F345-0199 Screening compound: N-(3-chlorophenyl)-4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F345-0199
N-(3-chlorophenyl)-4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]piperidine-1-carboxamide

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

F345-0199

Molecular Formula

C22H26ClN3O2S (C22 H26 ClN3 O2 S)

Compound Name

N-(3-chlorophenyl)-4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]piperidine-1-carboxamide

IUPAC name

N-(3-chlorophenyl)-4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]piperidine-1-carboxamide

SMILES

CSc1ccc(CNC(CC(CC2)CCN2C(Nc2cccc(Cl)c2)=O)=O)cc1

InChI

InChI=1S/C22H26ClN3O2S/c1-29-20-7-5-17(6-8-20)15-24-21(27)13-16-9-11-26(12-10-16)22(28)25-19-4-2-3-18(23)14-19/h2-8,14,16H,9-13,15H2,1H3,(H,24,27)(H,25,28)

InChI Key

PAQOBVQUQGEUHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27117134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.661

Distribution Coefficient, logD

4.661

Water Solubility, LogSw

-4.72

Polar Surface Area

49.907

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F345-0199 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F345-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F345-0199?
Check Price and Availability of F345-0199, 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 F345-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F345-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F345-0199
  • 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 F345-0199 available by request