S329-0078 Screening compound: 1-METHYL-N-(OXAN-4-YL)-N-[(PYRIDIN-3-YL)METHYL]PIPERIDIN-4-AMINE

S329-0078 Screening compound: 1-METHYL-N-(OXAN-4-YL)-N-[(PYRIDIN-3-YL)METHYL]PIPERIDIN-4-AMINE
S329-0078 Screening compound: 1-METHYL-N-(OXAN-4-YL)-N-[(PYRIDIN-3-YL)METHYL]PIPERIDIN-4-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S329-0078
1-METHYL-N-(OXAN-4-YL)-N-[(PYRIDIN-3-YL)METHYL]PIPERIDIN-4-AMINE

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

S329-0078

Molecular Formula

C17H27N3O (C17 H27 N3 O)

Compound Name

1-METHYL-N-(OXAN-4-YL)-N-[(PYRIDIN-3-YL)METHYL]PIPERIDIN-4-AMINE

IUPAC name

n/a

SMILES

CN(CC1)CCC1N(Cc1cnccc1)C1CCOCC1

InChI

InChI=1S/C17H27N3O/c1-19-9-4-16(5-10-19)20(17-6-11-21-12-7-17)14-15-3-2-8-18-13-15/h2-3,8,13,16-17H,4-7,9-12,14H2,1H3

InChI Key

ZGCGTBOYOQJCSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28996482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.278

Distribution Coefficient, logD

-0.258

Water Solubility, LogSw

-0.80

Polar Surface Area

22.963

Acid Dissociation Constant (pKa)

26.72

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.59

S329-0078 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Others
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S329-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S329-0078?
Check Price and Availability of S329-0078, 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 S329-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S329-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S329-0078
  • 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 S329-0078 available by request