S329-4230 Screening compound: 4-[N-(oxan-4-yl)acetamido]-N-{[4-(trifluoromethoxy)phenyl]methyl}piperidine-1-carboxamide

S329-4230 Screening compound: 4-[N-(oxan-4-yl)acetamido]-N-{[4-(trifluoromethoxy)phenyl]methyl}piperidine-1-carboxamide
S329-4230 Screening compound: 4-[N-(oxan-4-yl)acetamido]-N-{[4-(trifluoromethoxy)phenyl]methyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-4230
4-[N-(oxan-4-yl)acetamido]-N-{[4-(trifluoromethoxy)phenyl]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

S329-4230

Molecular Formula

C21H28F3N3O4 (C21 H28 F3 N3 O4)

Compound Name

4-[N-(oxan-4-yl)acetamido]-N-{[4-(trifluoromethoxy)phenyl]methyl}piperidine-1-carboxamide

IUPAC name

4-[N-(oxan-4-yl)acetamido]-N-{[4-(trifluoromethoxy)phenyl]methyl}piperidine-1-carboxamide

SMILES

CC(N(C(CC1)CCN1C(NCc(cc1)ccc1OC(F)(F)F)=O)C1CCOCC1)=O

InChI

InChI=1S/C21H28F3N3O4/c1-15(28)27(18-8-12-30-13-9-18)17-6-10-26(11-7-17)20(29)25-14-16-2-4-19(5-3-16)31-21(22,23)24/h2-5,17-18H,6-14H2,1H3,(H,25,29)

InChI Key

QQZNCYWCLRXQMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-3.23

Polar Surface Area

55.959

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

S329-4230 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S329-4230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-4230?
Check Price and Availability of S329-4230, 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 S329-4230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-4230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-4230
  • 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 S329-4230 available by request