S329-0443 Screening compound: 4-oxo-4-{4-[(3-pyridylmethyl)(tetrahydro-2H-pyran-4-yl)amino]piperidino}butanoic acid

S329-0443 Screening compound: 4-oxo-4-{4-[(3-pyridylmethyl)(tetrahydro-2H-pyran-4-yl)amino]piperidino}butanoic acid
S329-0443 Screening compound: 4-oxo-4-{4-[(3-pyridylmethyl)(tetrahydro-2H-pyran-4-yl)amino]piperidino}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-0443
4-oxo-4-{4-[(3-pyridylmethyl)(tetrahydro-2H-pyran-4-yl)amino]piperidino}butanoic 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

S329-0443

Molecular Formula

C20H29N3O4 (C20 H29 N3 O4)

Compound Name

4-oxo-4-{4-[(3-pyridylmethyl)(tetrahydro-2H-pyran-4-yl)amino]piperidino}butanoic acid

IUPAC name

4-{4-[(oxan-4-yl)[(pyridin-3-yl)methyl]amino]piperidin-1-yl}-4-oxobutanoic acid

SMILES

OC(CCC(N(CC1)CCC1N(Cc1cnccc1)C1CCOCC1)=O)=O

InChI

InChI=1S/C20H29N3O4/c24-19(3-4-20(25)26)22-10-5-17(6-11-22)23(18-7-12-27-13-8-18)15-16-2-1-9-21-14-16/h1-2,9,14,17-18H,3-8,10-13,15H2,(H,25,26)

InChI Key

XABPWIPRFVLSGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.467

Distribution Coefficient, logD

0.467

Water Solubility, LogSw

-0.64

Polar Surface Area

64.070

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S329-0443 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

Integrin Receptors Targeted library (1715 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S329-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-0443?
Check Price and Availability of S329-0443, 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 S329-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-0443
  • 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 S329-0443 available by request